![CAS 2187409-01-2 6-(4-((5-aMino-5-oxopentyl)aMino)phenyl)-1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2187409-01-2.png)
CAS RN: 2187409-01-2
6-(4-((5-aMino-5-oxopentyl)aMino)phenyl)-1-(4-Methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxaMide
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.20251122 | 5mg / 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2187409-01-2
- Purity/Analytical Methods: >99.0%
2187409-01-2 / 6-[4-[(5-amino-5-oxopentyl)amino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
Basic Information
CAS
2187409-01-2
Multi CAS
No
Molecular Formula
C25H28N6O4
Molecular Weight
476.500000
Exact Mass
476.217203
SMILES
COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)NCCCCC(=O)N)C(=N2)C(=O)N
InChI
InChI=1S/C25H28N6O4/c1-35-19-11-9-18(10-12-19)31-23-20(22(29-31)24(27)33)13-15-30(25(23)34)17-7-5-16(6-8-17)28-14-3-2-4-21(26)32/h5-12,28H,2-4,13-15H2,1H3,(H2,26,32)(H2,27,33)
InChIKey
OTKSZZJZOVQZCB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
17
Fraction Csp3
0.28
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
3
Molar refractivity
131.99
TPSA
145.57
LogP / Solubility
WLOGP
2.25
MLOGP
2.01
XLogP3
2
Consensus LogP
2.09
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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