CAS RN: 1159827-11-8

7-Cyano-6-azaindole

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Batchno.20251109 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1159827-11-8
  • Purity/Analytical Methods: >99.0%
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1159827-11-8 / 1H-pyrrolo[2,3-c]pyridine-7-carbonitrile

1H-Pyrrolo[2,3-c]pyridine-7-carbonitrile | 7-Cyano-6-azaindole | MFCD12401020

Standard CAS: 1159827-11-8 Multi CAS: No

Basic Information

CAS
1159827-11-8
Multi CAS
No
Molecular Formula
C8H5N3
Molecular Weight
143.150000
Exact Mass
143.048347
SMILES
C1=CNC2=C1C=CN=C2C#N
InChI
InChI=1S/C8H5N3/c9-5-7-8-6(1-3-10-7)2-4-11-8/h1-4,11H
InChIKey
LHEOHLOKJZRGSR-UHFFFAOYSA-N
Synonyms
1H-Pyrrolo[2,3-c]pyridine-7-carbonitrile 7-Cyano-6-azaindole MFCD12401020 AKOS016010760 PB29989

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.81
TPSA
52.47

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
1
Consensus LogP
1.23
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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