2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

C14H13BrN4O — CID 79821859

IUPAC2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3ccc(OC)c(Br)c3)nc2n1
InChIInChI=1S/C14H13BrN4O/c1-16-12-6-4-10-14(18-12)19-13(17-10)8-3-5-11(20-2)9(15)7-8/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyPXFFWYHZDMICME-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.44
Rot. Bonds3

About 2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821859) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821859
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(-c3ccc(OC)c(Br)c3)nc2n1
InChIInChI=1S/C14H13BrN4O/c1-16-12-6-4-10-14(18-12)19-13(17-10)8-3-5-11(20-2)9(15)7-8/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyPXFFWYHZDMICME-UHFFFAOYSA-N
XLogP3.44
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-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 2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821859) is 2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(-c3ccc(OC)c(Br)c3)nc2n1.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is PXFFWYHZDMICME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-16-12-6-4-10-14(18-12)19-13(17-10)8-3-5-11(20-2)9(15)7-8/h3-7H,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 333.19 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).