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

C15H15BrN4O — CID 70681027

IUPAC6-bromo-2-(4-ethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCCOc1ccc(-c2nc3ncc(Br)c(NC)c3[nH]2)cc1
InChIInChI=1S/C15H15BrN4O/c1-3-21-10-6-4-9(5-7-10)14-19-13-12(17-2)11(16)8-18-15(13)20-14/h4-8H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyFIASWBLFYIGRQT-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.83
Rot. Bonds4

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

6-bromo-2-(4-ethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 70681027) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 6-bromo-2-(4-ethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-2-(4-ethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID70681027
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name6-bromo-2-(4-ethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCCOc1ccc(-c2nc3ncc(Br)c(NC)c3[nH]2)cc1
InChIInChI=1S/C15H15BrN4O/c1-3-21-10-6-4-9(5-7-10)14-19-13-12(17-2)11(16)8-18-15(13)20-14/h4-8H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyFIASWBLFYIGRQT-UHFFFAOYSA-N
XLogP3.83
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-ethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-2-(4-ethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine (CID 70681027) is 6-bromo-2-(4-ethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-2-(4-ethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-2-(4-ethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine is CCOc1ccc(-c2nc3ncc(Br)c(NC)c3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-(4-ethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is FIASWBLFYIGRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-3-21-10-6-4-9(5-7-10)14-19-13-12(17-2)11(16)8-18-15(13)20-14/h4-8H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-bromo-2-(4-ethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine?
6-bromo-2-(4-ethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 347.22 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-ethoxyphenyl)-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 70681027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).