![CAS 875634-01-8 3-PyridinecarboxaMide, 5-[3-(2-Methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-diMethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/875634-01-8.gif)
CAS RN: 875634-01-8
3-PyridinecarboxaMide, 5-[3-(2-Methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-diMethyl-
Product Availability
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5 package records4 with current stock1 grade group
- Product code: starshine_CAS875634-01-8
- Purity/Analytical Methods: >99.0%
875634-01-8 / 5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
Basic Information
CAS
875634-01-8
Multi CAS
No
Molecular Formula
C22H20N4O2
Molecular Weight
372.400000
Exact Mass
372.158626
InChI
InChI=1S/C22H20N4O2/c1-26(2)22(27)16-8-14(10-23-11-16)15-9-18-19(13-25-21(18)24-12-15)17-6-4-5-7-20(17)28-3/h4-13H,1-3H3,(H,24,25)
InChIKey
GYQRHHQPEMOLKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
21
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
109.33
TPSA
71.11
LogP / Solubility
WLOGP
4
MLOGP
3.54
XLogP3
2.9
Consensus LogP
3.48
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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