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

C16H17BrN4O — CID 70695753

IUPAC6-bromo-N-methyl-2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3ccc(OC(C)C)cc3)[nH]c12
InChIInChI=1S/C16H17BrN4O/c1-9(2)22-11-6-4-10(5-7-11)15-20-14-13(18-3)12(17)8-19-16(14)21-15/h4-9H,1-3H3,(H2,18,19,20,21)
InChIKeySHXMHZWHWFGKIG-UHFFFAOYSA-N
MW361.24 g/mol
LogP4.22
Rot. Bonds4

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

6-bromo-N-methyl-2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 70695753) has the molecular formula C16H17BrN4O and a molecular weight of 361.24 g/mol. Its IUPAC name is 6-bromo-N-methyl-2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID70695753
Molecular FormulaC16H17BrN4O
Molecular Weight361.24 g/mol
Exact Mass360.06
IUPAC Name6-bromo-N-methyl-2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3ccc(OC(C)C)cc3)[nH]c12
InChIInChI=1S/C16H17BrN4O/c1-9(2)22-11-6-4-10(5-7-11)15-20-14-13(18-3)12(17)8-19-16(14)21-15/h4-9H,1-3H3,(H2,18,19,20,21)
InChIKeySHXMHZWHWFGKIG-UHFFFAOYSA-N
XLogP4.22
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-N-methyl-2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 70695753) is 6-bromo-N-methyl-2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-N-methyl-2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-N-methyl-2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine is CNc1c(Br)cnc2nc(-c3ccc(OC(C)C)cc3)[nH]c12.
What is the InChIKey of 6-bromo-N-methyl-2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is SHXMHZWHWFGKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O/c1-9(2)22-11-6-4-10(5-7-11)15-20-14-13(18-3)12(17)8-19-16(14)21-15/h4-9H,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-bromo-N-methyl-2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
6-bromo-N-methyl-2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 361.24 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-2-(4-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 70695753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).