2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine

C18H15N3S — CID 59841529

IUPAC2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine
SMILESCc1cc(-n2c(C)nc3cc(-c4ccccc4)cnc32)cs1
InChIInChI=1S/C18H15N3S/c1-12-8-16(11-22-12)21-13(2)20-17-9-15(10-19-18(17)21)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyWUUHCSBXVAXFLW-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.77
Rot. Bonds2

About 2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine

2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine (PubChem CID 59841529) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine
PubChem CID59841529
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine
SMILESCc1cc(-n2c(C)nc3cc(-c4ccccc4)cnc32)cs1
InChIInChI=1S/C18H15N3S/c1-12-8-16(11-22-12)21-13(2)20-17-9-15(10-19-18(17)21)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyWUUHCSBXVAXFLW-UHFFFAOYSA-N
XLogP4.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-methyl-6-phenylimidazo[4,5-b]pyridine
CID 10466968
[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 171069078
2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine
CID 131983038
2-chloro-8-methyl-9-phenylpurine
CID 150775860
2,7-diphenylpyrido[3,2-d]pyrimidine;ethane;methanol
CID 159207035
2-methyl-3,6-diphenylquinazolin-4-one
CID 155516068
methyl 1-[4-[2-(2-amino-3-pyridinyl)-6-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxylate
CID 58345165
9-iodo-6-methyl-3-phenylpyrido[2,3-b]indole
CID 134214427
methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate
CID 164990652
2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 131983194
1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
2-methyl-5-[6-(2-methyl-1-phenylbenzimidazol-5-yl)-9,10-diphenylanthracen-2-yl]-1-phenylbenzimidazole
CID 58953669

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine (CID 59841529) is 2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine is Cc1cc(-n2c(C)nc3cc(-c4ccccc4)cnc32)cs1.
What is the InChIKey of 2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine?
The InChIKey is WUUHCSBXVAXFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-12-8-16(11-22-12)21-13(2)20-17-9-15(10-19-18(17)21)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine?
2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine has a molecular weight of 305.41 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 59841529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).