6-bromo-2-(3,4-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine

C15H15BrN4O2 — CID 70683151

IUPAC6-bromo-2-(3,4-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3ccc(OC)c(OC)c3)[nH]c12
InChIInChI=1S/C15H15BrN4O2/c1-17-12-9(16)7-18-15-13(12)19-14(20-15)8-4-5-10(21-2)11(6-8)22-3/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyJCEOTSGAIZXXKN-UHFFFAOYSA-N
MW363.22 g/mol
LogP3.45
Rot. Bonds4

About 6-bromo-2-(3,4-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine

6-bromo-2-(3,4-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 70683151) has the molecular formula C15H15BrN4O2 and a molecular weight of 363.22 g/mol. Its IUPAC name is 6-bromo-2-(3,4-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-2-(3,4-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID70683151
Molecular FormulaC15H15BrN4O2
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC Name6-bromo-2-(3,4-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3ccc(OC)c(OC)c3)[nH]c12
InChIInChI=1S/C15H15BrN4O2/c1-17-12-9(16)7-18-15-13(12)19-14(20-15)8-4-5-10(21-2)11(6-8)22-3/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyJCEOTSGAIZXXKN-UHFFFAOYSA-N
XLogP3.45
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3,4-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-2-(3,4-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine (CID 70683151) is 6-bromo-2-(3,4-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-2-(3,4-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-2-(3,4-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine is CNc1c(Br)cnc2nc(-c3ccc(OC)c(OC)c3)[nH]c12.
What is the InChIKey of 6-bromo-2-(3,4-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is JCEOTSGAIZXXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O2/c1-17-12-9(16)7-18-15-13(12)19-14(20-15)8-4-5-10(21-2)11(6-8)22-3/h4-7H,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-bromo-2-(3,4-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine?
6-bromo-2-(3,4-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 363.22 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3,4-dimethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 70683151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).