![CAS 920978-76-3 N-(1,2-dimethyl-1H-benzo[d]imidazol-5-yl)-1-(3-fluorobenzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/920978-76-3.gif)
CAS RN: 920978-76-3
N-(1,2-dimethyl-1H-benzo[d]imidazol-5-yl)-1-(3-fluorobenzyl)-1H-pyrrolo[3,2-c]pyridine-2-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.20250225 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS920978-76-3
- Purity/Analytical Methods: >99.0%
920978-76-3 / N-(1,2-dimethylbenzimidazol-5-yl)-1-[(3-fluorophenyl)methyl]pyrrolo[3,2-c]pyridine-2-carboxamide
Basic Information
CAS
920978-76-3
Multi CAS
No
Molecular Formula
C24FH20N5O
Molecular Weight
413.400000
Exact Mass
413.165188
InChI
InChI=1S/C24H20FN5O/c1-15-27-20-12-19(6-7-22(20)29(15)2)28-24(31)23-11-17-13-26-9-8-21(17)30(23)14-16-4-3-5-18(25)10-16/h3-13H,14H2,1-2H3,(H,28,31)
InChIKey
IYVHLWYVUJGOJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
118.64
TPSA
64.74
LogP / Solubility
WLOGP
4.67
MLOGP
4.14
XLogP3
3.7
Consensus LogP
4.17
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble
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)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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