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CAS 1000340-92-0 5,6-DIMETHYL-7-AZAINDOLE molecular structure lightbox
CAS RN: 1000340-92-0

5,6-DIMETHYL-7-AZAINDOLE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260205 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1000340-92-0
  • Purity/Analytical Methods: >99.0%
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1000340-92-0 / 5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine

5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine | 1000340-92-0 | 5,6-Dimethyl-7-azaindole

Standard CAS: 1000340-92-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1000340-92-0
Multi CAS
Yes
Molecular Formula
C9H10N2
Molecular Weight
146.190000
Exact Mass
146.084398
SMILES
CC1=CC2=C(NC=C2)N=C1C
InChI
InChI=1S/C9H10N2/c1-6-5-8-3-4-10-9(8)11-7(6)2/h3-5H,1-2H3,(H,10,11)
InChIKey
PNVFQKXTEZMZPM-UHFFFAOYSA-N
Synonyms
5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine 1000340-92-0 5,6-Dimethyl-7-azaindole 1H-Pyrrolo[2,3-b]pyridine, 5,6-dimethyl- SCHEMBL11286572

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.57
TPSA
28.68

LogP / Solubility

WLOGP
2.18
MLOGP
1.91
XLogP3
2.1
Consensus LogP
2.06
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

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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