methyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate

C17H14N4O3 — CID 156810757

IUPACmethyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2c(c1)nc(CC#N)n2-c1ccc(OC)cc1
InChIInChI=1S/C17H14N4O3/c1-23-13-5-3-12(4-6-13)21-15(7-8-18)20-14-9-11(17(22)24-2)10-19-16(14)21/h3-6,9-10H,7H2,1-2H3
InChIKeyWZZHGTAVILOHAR-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.28
Rot. Bonds4

About methyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate

methyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 156810757) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is methyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate
PubChem CID156810757
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Namemethyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2c(c1)nc(CC#N)n2-c1ccc(OC)cc1
InChIInChI=1S/C17H14N4O3/c1-23-13-5-3-12(4-6-13)21-15(7-8-18)20-14-9-11(17(22)24-2)10-19-16(14)21/h3-6,9-10H,7H2,1-2H3
InChIKeyWZZHGTAVILOHAR-UHFFFAOYSA-N
XLogP2.28
TPSA90.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-1-methylpiperidine;2-[6-formyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]acetonitrile
CID 156811140
methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate
CID 164990652
[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
CID 156810884
methyl 2-[2-(4-cyanophenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxylate
CID 18412708
ethane;methyl 3-(4-cyanophenyl)triazolo[4,5-b]pyridine-6-carboxylate
CID 167448453
dimethyl 2-(cyanomethyl)pyridine-3,5-dicarboxylate
CID 155921153
3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid;[3-(4-methoxyphenyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;methyl 5-amino-6-(4-methoxyanilino)pyridine-3-carboxylate;methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate
CID 164990651
methyl 1-iodopyrrolo[2,3-b]pyridine-5-carboxylate
CID 141347109
methyl 8-methoxyphenanthridine-3-carboxylate
CID 167513566
methyl 6-[(4-methoxyphenyl)methylamino]-8-methyl-1,5-naphthyridine-3-carboxylate
CID 166460491
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159759
ethyl 7-methoxyquinoline-3-carboxylate;methyl 7-hydroxyquinoline-3-carboxylate
CID 158875379

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate (CID 156810757) is methyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate is COC(=O)c1cnc2c(c1)nc(CC#N)n2-c1ccc(OC)cc1.
What is the InChIKey of methyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is WZZHGTAVILOHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-23-13-5-3-12(4-6-13)21-15(7-8-18)20-14-9-11(17(22)24-2)10-19-16(14)21/h3-6,9-10H,7H2,1-2H3.
What are the key properties of methyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate?
methyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 322.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 156810757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).