CAS RN: 1346572-63-1
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-3-methyl-6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260604 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1346572-63-1
- Purity/Analytical Methods: >99.0%
1346572-63-1 / N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide
Basic Information
CAS
1346572-63-1
Multi CAS
No
Molecular Formula
C31H38N6O2
Molecular Weight
526.700000
Exact Mass
526.305624
SMILES
CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C(=CN(C3=CC(=C2)C4=CN=C(C=C4)N5CCN(CC5)C)C(C)C)C)C
InChI
InChI=1S/C31H38N6O2/c1-19(2)37-18-21(4)29-25(30(38)33-17-26-20(3)13-22(5)34-31(26)39)14-24(15-27(29)37)23-7-8-28(32-16-23)36-11-9-35(6)10-12-36/h7-8,13-16,18-19H,9-12,17H2,1-6H3,(H,33,38)(H,34,39)
InChIKey
HRDQQHUKUIKFHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
21
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
157.71
TPSA
86.26
LogP / Solubility
WLOGP
4.58
MLOGP
4.07
XLogP3
3.8
Consensus LogP
4.15
Log S (ESOL)
-5.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
![CAS 1346574-54-6 1H-Indole-4-carboxaMide, 6-broMo-N-[(1,2-dihydro-4,6-diMethyl-2-oxo-3-pyridinyl)Methyl]-3-Methyl-1-[(1S)-1-Methylpropyl]- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1H-Indole-4-carboxaMide, 6-broMo-N-[(1,2-dihydro-4,6-diMethyl-2-oxo-3-pyridinyl)Methyl]-3-Methyl-1-[(1S)-1-Methylpropyl]-
- CAS RN: 1346574-54-6
- Product Code: starshine_CAS1346574-54-6
- Purity/Analytical method: >99.0%
-
S)-1-(sec-butyl)-N-((4,6-diMethyl-2-oxo-1,2-dihydropyridin-3-yl)Methyl)-3-Methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxaMide
- CAS RN: 1346574-57-9
- Product Code: SSC-042530
-
1H-Indole-4-carboxylic acid, 6-broMo-3-Methyl-1-(1-Methylpropyl)-
- CAS RN: 1346575-54-9
- Product Code: SSC-042531
-
-
Ethyl 3-[Benzyl(Methyl)aMino]-2,2-difluoropropanoate
- CAS RN: 1346597-47-4
- Product Code: SSC-042535
-
4-(4-Benzyl-1-piperazinyl)-3-fluorobenzoic Acid
- CAS RN: 1346597-48-5
- Product Code: SSC-042536
![CAS 1346574-54-6 1H-Indole-4-carboxaMide, 6-broMo-N-[(1,2-dihydro-4,6-diMethyl-2-oxo-3-pyridinyl)Methyl]-3-Methyl-1-[(1S)-1-Methylpropyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346574-54-6.gif)
![CAS 1346597-47-4 Ethyl 3-[Benzyl(Methyl)aMino]-2,2-difluoropropanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346597-47-4.gif)
