![CAS 2446803-65-0 1H-Pyrazole-5-carboxamide, N-[(1S)-2,2-dicyclopropyl-1-[[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino]carbonyl]ethyl]-1-(1-methylethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2446803-65-0.gif)
CAS RN: 2446803-65-0
1H-Pyrazole-5-carboxamide, N-[(1S)-2,2-dicyclopropyl-1-[[[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino]carbonyl]ethyl]-1-(1-methylethyl)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250706 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2446803-65-0
- Purity/Analytical Methods: >99.0%
2446803-65-0 / N-[(2S)-1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
Basic Information
CAS
2446803-65-0
Multi CAS
No
Molecular Formula
C27H34N6O2
Molecular Weight
474.600000
Exact Mass
474.274324
SMILES
CC1=C(C(=NN1)C)C2=CC=C(C=C2)NC(=O)[C@H](C(C3CC3)C4CC4)NC(=O)C5=CC=NN5C(C)C
InChI
InChI=1S/C27H34N6O2/c1-15(2)33-22(13-14-28-33)26(34)30-25(24(19-5-6-19)20-7-8-20)27(35)29-21-11-9-18(10-12-21)23-16(3)31-32-17(23)4/h9-15,19-20,24-25H,5-8H2,1-4H3,(H,29,35)(H,30,34)(H,31,32)/t25-/m0/s1
InChIKey
CQKVACARDGYEMU-VWLOTQADSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
16
Fraction Csp3
0.48
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
3
Molar refractivity
134.93
TPSA
104.7
LogP / Solubility
WLOGP
4.64
MLOGP
4.12
XLogP3
4.7
Consensus LogP
4.49
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.68
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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