![CAS 2290660-61-4 1H-Pyrazolo[4,3-c]pyridine-7-carboxamide, 5-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-4-oxo-1-(4-piperidinyl)-N-4-pyridinyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2290660-61-4.gif)
CAS RN: 2290660-61-4
1H-Pyrazolo[4,3-c]pyridine-7-carboxamide, 5-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-4-oxo-1-(4-piperidinyl)-N-4-pyridinyl-
Product Availability
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4 package records0 with current stock2 grade groups
- Product code: starshine_CAS2290660-61-4
- Purity/Analytical Methods: >99.0%
2290660-61-4 / 5-[(3,4-dichlorophenyl)methyl]-4-oxo-1-piperidin-4-yl-N-pyridin-4-ylpyrazolo[4,5-c]pyridine-7-carboxamide
Basic Information
CAS
2290660-61-4
Multi CAS
No
Molecular Formula
C24H22Cl2N6O2
Molecular Weight
497.400000
Exact Mass
496.118129
SMILES
C1CNCCC1N2C3=C(C=N2)C(=O)N(C=C3C(=O)NC4=CC=NC=C4)CC5=CC(=C(C=C5)Cl)Cl
InChI
InChI=1S/C24H22Cl2N6O2/c25-20-2-1-15(11-21(20)26)13-31-14-19(23(33)30-16-3-7-27-8-4-16)22-18(24(31)34)12-29-32(22)17-5-9-28-10-6-17/h1-4,7-8,11-12,14,17,28H,5-6,9-10,13H2,(H,27,30,33)
InChIKey
BMOUOZDRMBLNSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
132.89
TPSA
93.84
LogP / Solubility
WLOGP
4.12
MLOGP
3.67
XLogP3
2.1
Consensus LogP
3.3
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.92
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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