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CAS 161264-46-6 1H-Pyrrolo[2,3-b]pyridin-1-amine(9CI) molecular structure lightbox
CAS RN: 161264-46-6

1H-Pyrrolo[2,3-b]pyridin-1-amine(9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS161264-46-6
  • Purity/Analytical Methods: >99.0%
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161264-46-6 / pyrrolo[2,3-b]pyridin-1-amine

Standard CAS: 161264-46-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
161264-46-6
Multi CAS
No
Molecular Formula
C7H7N3
Molecular Weight
133.150000
Exact Mass
133.063997
SMILES
C1=CC2=C(N=C1)N(C=C2)N
InChI
InChI=1S/C7H7N3/c8-10-5-3-6-2-1-4-9-7(6)10/h1-5H,8H2
InChIKey
YKDJLEIIKHBILS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.88
TPSA
43.84

LogP / Solubility

WLOGP
0.75
MLOGP
0.65
XLogP3
1
Consensus LogP
0.8
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-3

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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