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

C66H67N13O10 — CID 164990651

IUPAC3-(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
SMILESCOC(=O)c1cnc(Nc2ccc(OC)cc2)c(N)c1.COC(=O)c1cnc2c(c1)nc(C)n2-c1ccc(C)cc1.COc1ccc(-n2c(C)nc3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.COc1ccc(-n2c(C)nc3cc(C(=O)O)cnc32)cc1
InChIInChI=1S/C21H24N4O2.C16H15N3O2.C15H13N3O3.C14H15N3O3/c1-14-8-10-24(11-9-14)21(26)16-12-19-20(22-13-16)25(15(2)23-19)17-4-6-18(27-3)7-5-17;1-10-4-6-13(7-5-10)19-11(2)18-14-8-12(16(20)21-3)9-17-15(14)19;1-9-17-13-7-10(15(19)20)8-16-14(13)18(9)11-3-5-12(21-2)6-4-11;1-19-11-5-3-10(4-6-11)17-13-12(15)7-9(8-16-13)14(18)20-2/h4-7,12-14H,8-11H2,1-3H3;4-9H,1-3H3;3-8H,1-2H3,(H,19,20);3-8H,15H2,1-2H3,(H,16,17)
InChIKeyGUQLYSPPCQHDNT-UHFFFAOYSA-N
MW1202.34 g/mol
LogP11.07
Rot. Bonds12

About 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

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 (PubChem CID 164990651) has the molecular formula C66H67N13O10 and a molecular weight of 1202.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID164990651
Molecular FormulaC66H67N13O10
Molecular Weight1202.34 g/mol
Exact Mass1201.51
IUPAC Name3-(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
SMILESCOC(=O)c1cnc(Nc2ccc(OC)cc2)c(N)c1.COC(=O)c1cnc2c(c1)nc(C)n2-c1ccc(C)cc1.COc1ccc(-n2c(C)nc3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.COc1ccc(-n2c(C)nc3cc(C(=O)O)cnc32)cc1
InChIInChI=1S/C21H24N4O2.C16H15N3O2.C15H13N3O3.C14H15N3O3/c1-14-8-10-24(11-9-14)21(26)16-12-19-20(22-13-16)25(15(2)23-19)17-4-6-18(27-3)7-5-17;1-10-4-6-13(7-5-10)19-11(2)18-14-8-12(16(20)21-3)9-17-15(14)19;1-9-17-13-7-10(15(19)20)8-16-14(13)18(9)11-3-5-12(21-2)6-4-11;1-19-11-5-3-10(4-6-11)17-13-12(15)7-9(8-16-13)14(18)20-2/h4-7,12-14H,8-11H2,1-3H3;4-9H,1-3H3;3-8H,1-2H3,(H,19,20);3-8H,15H2,1-2H3,(H,16,17)
InChIKeyGUQLYSPPCQHDNT-UHFFFAOYSA-N
XLogP11.07
TPSA280.97 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001202.34
LogP ≤ 511.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Related Compounds

7-[[5-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methoxyimidazo[1,2-a]pyridin-3-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156163936
Methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate
CID 155542044
6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 118094720
2-[5-[[4-[[4-(1,1-Difluoroethyl)phenyl]methyl]piperazin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;methane;methyl 2-[1-methyl-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate;2-[1-methyl-5-[[4-(3-phenoxypropyl)piperazin-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid
CID 157534015
5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone
CID 158555735
6-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-4-methylimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylsulfanylbenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-4-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;methyl 3-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 158898470
bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline
CID 158947957
7,8-dideuterio-6-methyl-2-(trideuteriomethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;7,8-dideuterio-6-methyl-2-(trideuteriomethyl)-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine
CID 158994627
5,7,8-trideuterio-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;5,7,8-trideuterio-2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methanamine
CID 158994629
sodium;argon;bromomethane;deuterio(iodo)methane;hydride;3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;6-isocyano-3-(4-phenylmethoxyphenyl)imidazo[4,5-b]pyridine;N-(2-morpholin-4-ylethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxylic acid
CID 158999786
5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 159203428
methyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylic acid;[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;hydrochloride
CID 159505469

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1cnc(Nc2ccc(OC)cc2)c(N)c1.COC(=O)c1cnc2c(c1)nc(C)n2-c1ccc(C)cc1.COc1ccc(-n2c(C)nc3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.COc1ccc(-n2c(C)nc3cc(C(=O)O)cnc32)cc1.
What is the InChIKey of 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?
The InChIKey is GUQLYSPPCQHDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2.C16H15N3O2.C15H13N3O3.C14H15N3O3/c1-14-8-10-24(11-9-14)21(26)16-12-19-20(22-13-16)25(15(2)23-19)17-4-6-18(27-3)7-5-17;1-10-4-6-13(7-5-10)19-11(2)18-14-8-12(16(20)21-3)9-17-15(14)19;1-9-17-13-7-10(15(19)20)8-16-14(13)18(9)11-3-5-12(21-2)6-4-11;1-19-11-5-3-10(4-6-11)17-13-12(15)7-9(8-16-13)14(18)20-2/h4-7,12-14H,8-11H2,1-3H3;4-9H,1-3H3;3-8H,1-2H3,(H,19,20);3-8H,15H2,1-2H3,(H,16,17).
What are the key properties of 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?
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 has a molecular weight of 1202.34 g/mol, XLogP of 11.07, 12 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164990651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).