methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate

C20H15N3O2 — CID 134833852

IUPACmethyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc2c1ncn2-c1ccccc1
InChIInChI=1S/C20H15N3O2/c1-25-20(24)16-12-17(14-8-4-2-5-9-14)22-19-18(16)21-13-23(19)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyOJDXYDGIDJVWTG-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.87
Rot. Bonds3

About methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate

methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate (PubChem CID 134833852) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate
PubChem CID134833852
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Namemethyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc2c1ncn2-c1ccccc1
InChIInChI=1S/C20H15N3O2/c1-25-20(24)16-12-17(14-8-4-2-5-9-14)22-19-18(16)21-13-23(19)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyOJDXYDGIDJVWTG-UHFFFAOYSA-N
XLogP3.87
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247950
methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247937
methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 673655
methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate
CID 1211357
methyl 1-cyclopropyl-4-oxo-7-phenyl-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate
CID 29090475
methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916288
methyl 6-(4-methylphenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 29091596
methyl 1-phenyl-5-propan-2-ylimidazole-4-carboxylate
CID 11776585
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
methyl 3-amino-9,11-diphenyl-5-thia-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene-4-carboxylate
CID 10525024
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922
methyl 1-benzyl-6-(3-bromophenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19497952

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate?
The IUPAC name of methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate (CID 134833852) is methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate?
The canonical SMILES for methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate is COC(=O)c1cc(-c2ccccc2)nc2c1ncn2-c1ccccc1.
What is the InChIKey of methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate?
The InChIKey is OJDXYDGIDJVWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-25-20(24)16-12-17(14-8-4-2-5-9-14)22-19-18(16)21-13-23(19)15-10-6-3-7-11-15/h2-13H,1H3.
What are the key properties of methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate?
methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate is sourced from PubChem (CID 134833852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).