4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

C19H17BrN4O — CID 121429149

IUPAC4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2nc(C)n(Cc3ccc(Br)cc3)c2c1
InChIInChI=1S/C19H17BrN4O/c1-11-18(12(2)25-23-11)15-8-17-19(21-9-15)22-13(3)24(17)10-14-4-6-16(20)7-5-14/h4-9H,10H2,1-3H3
InChIKeySFNHTMJYAJXVAI-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.82
Rot. Bonds3

About 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 121429149) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID121429149
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2nc(C)n(Cc3ccc(Br)cc3)c2c1
InChIInChI=1S/C19H17BrN4O/c1-11-18(12(2)25-23-11)15-8-17-19(21-9-15)22-13(3)24(17)10-14-4-6-16(20)7-5-14/h4-9H,10H2,1-3H3
InChIKeySFNHTMJYAJXVAI-UHFFFAOYSA-N
XLogP4.82
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 121429149) is 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cnc2nc(C)n(Cc3ccc(Br)cc3)c2c1.
What is the InChIKey of 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is SFNHTMJYAJXVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-11-18(12(2)25-23-11)15-8-17-19(21-9-15)22-13(3)24(17)10-14-4-6-16(20)7-5-14/h4-9H,10H2,1-3H3.
What are the key properties of 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 397.28 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-bromophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 121429149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).