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

C16H15N3O2 — CID 164990652

IUPACmethyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2c(c1)nc(C)n2-c1ccc(C)cc1
InChIInChI=1S/C16H15N3O2/c1-10-4-6-13(7-5-10)19-11(2)18-14-8-12(16(20)21-3)9-17-15(14)19/h4-9H,1-3H3
InChIKeySKAPVSFXMBMIKZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.82
Rot. Bonds2

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

methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate (PubChem CID 164990652) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate
PubChem CID164990652
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Namemethyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cnc2c(c1)nc(C)n2-c1ccc(C)cc1
InChIInChI=1S/C16H15N3O2/c1-10-4-6-13(7-5-10)19-11(2)18-14-8-12(16(20)21-3)9-17-15(14)19/h4-9H,1-3H3
InChIKeySKAPVSFXMBMIKZ-UHFFFAOYSA-N
XLogP2.82
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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 2-(cyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate
CID 156810757
methyl 1-iodopyrrolo[2,3-b]pyridine-5-carboxylate
CID 141347109
ethane;methyl 3-(4-cyanophenyl)triazolo[4,5-b]pyridine-6-carboxylate
CID 167448453
4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid
CID 66720258
methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
CID 122174668
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
dimethyl 2-[[2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
CID 19644234
methyl [1,2,5]selenadiazolo[3,4-b]pyridine-6-carboxylate
CID 166001529
methyl 1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-5-carboxylate
CID 66679244
methyl 2-[2-(4-cyanophenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxylate
CID 18412708

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate (CID 164990652) is methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate is COC(=O)c1cnc2c(c1)nc(C)n2-c1ccc(C)cc1.
What is the InChIKey of methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate?
The InChIKey is SKAPVSFXMBMIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-4-6-13(7-5-10)19-11(2)18-14-8-12(16(20)21-3)9-17-15(14)19/h4-9H,1-3H3.
What are the key properties of methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate?
methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate has a molecular weight of 281.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 164990652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).