6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine

C12H10BrN5 — CID 79306561

IUPAC6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1Cc1ccccn1
InChIInChI=1S/C12H10BrN5/c13-8-5-10-11(16-6-8)18(12(14)17-10)7-9-3-1-2-4-15-9/h1-6H,7H2,(H2,14,17)
InChIKeyIFOWWVNGCPULIP-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.22
Rot. Bonds2

About 6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine

6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79306561) has the molecular formula C12H10BrN5 and a molecular weight of 304.15 g/mol. Its IUPAC name is 6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79306561
Molecular FormulaC12H10BrN5
Molecular Weight304.15 g/mol
Exact Mass303.01
IUPAC Name6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1Cc1ccccn1
InChIInChI=1S/C12H10BrN5/c13-8-5-10-11(16-6-8)18(12(14)17-10)7-9-3-1-2-4-15-9/h1-6H,7H2,(H2,14,17)
InChIKeyIFOWWVNGCPULIP-UHFFFAOYSA-N
XLogP2.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine (CID 79306561) is 6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine is Nc1nc2cc(Br)cnc2n1Cc1ccccn1.
What is the InChIKey of 6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is IFOWWVNGCPULIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5/c13-8-5-10-11(16-6-8)18(12(14)17-10)7-9-3-1-2-4-15-9/h1-6H,7H2,(H2,14,17).
What are the key properties of 6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 304.15 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79306561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).