![CAS 1100121-56-9 2-Pyrazinecarboxamide, N-[2-(2,3-dihydro-1H-indol-1-yl)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1100121-56-9.gif)
CAS RN: 1100121-56-9
2-Pyrazinecarboxamide, N-[2-(2,3-dihydro-1H-indol-1-yl)phenyl]-
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250724 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1100121-56-9
- Purity/Analytical Methods: >99.0%
1100121-56-9 / N-[2-(2,3-dihydroindol-1-yl)phenyl]pyrazine-2-carboxamide
2-Pyrazinecarboxamide, N-[2-(2,3-dihydro-1H-indol-1-yl)phenyl]- | N-(2-(Indolin-1-yl)phenyl)pyrazine-2-carboxamide | AKOS034229470
Basic Information
CAS
1100121-56-9
Multi CAS
No
Molecular Formula
C19H16N4O
Molecular Weight
316.400000
Exact Mass
316.132411
SMILES
C1CN(C2=CC=CC=C21)C3=CC=CC=C3NC(=O)C4=NC=CN=C4
InChI
InChI=1S/C19H16N4O/c24-19(16-13-20-10-11-21-16)22-15-6-2-4-8-18(15)23-12-9-14-5-1-3-7-17(14)23/h1-8,10-11,13H,9,12H2,(H,22,24)
InChIKey
QLHRBUAVJBTERX-UHFFFAOYSA-N
Synonyms
2-Pyrazinecarboxamide, N-[2-(2,3-dihydro-1H-indol-1-yl)phenyl]-
N-(2-(Indolin-1-yl)phenyl)pyrazine-2-carboxamide
AKOS034229470
AS-78530
D94387
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
93.58
TPSA
58.12
LogP / Solubility
WLOGP
3.42
MLOGP
3.03
XLogP3
2.7
Consensus LogP
3.05
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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