acetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid

C133H124N32O17S — CID 157449682

IUPACacetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid
SMILESCC(=O)NC(=O)c1cn(-c2ccnc3ccccc23)nc1C.CC(=O)O.CC(=O)c1cc(-n2nc(C)c(C(N)=O)c2N)cc(C)n1.CC(=O)c1nn(-c2ccnc3ccccc23)cc1C.CCc1nn(-c2ccnc3ccccc23)cc1C(C)=O.Cc1ccn(-c2ccnc(C(N)=O)c2)c1.Cc1cn(-c2ncnc3c2C=CC3)cc1C(=O)O.Cc1cn(-c2ncnc3ccsc23)cc1C(=O)O.O=C=O.[H]/N=C(\C)NC(=O)c1cn(-c2cnc3ccccc3c2)cc1C.[H]/N=C(\C)NC(=O)c1cn(-c2cnc3ccccc3c2)cc1C
InChIInChI=1S/2C17H16N4O.C16H14N4O2.C16H15N3O.C15H13N3O.C13H15N5O2.C13H11N3O2.C12H9N3O2S.C11H11N3O.C2H4O2.CO2/c2*1-11-9-21(10-15(11)17(22)20-12(2)18)14-7-13-5-3-4-6-16(13)19-8-14;1-10-13(16(22)18-11(2)21)9-20(19-10)15-7-8-17-14-6-4-3-5-12(14)15;1-3-14-13(11(2)20)10-19(18-14)16-8-9-17-15-7-5-4-6-12(15)16;1-10-9-18(17-15(10)11(2)19)14-7-8-16-13-6-4-3-5-12(13)14;1-6-4-9(5-10(16-6)8(3)19)18-12(14)11(13(15)20)7(2)17-18;1-8-5-16(6-10(8)13(17)18)12-9-3-2-4-11(9)14-7-15-12;1-7-4-15(5-8(7)12(16)17)11-10-9(2-3-18-10)13-6-14-11;1-8-3-5-14(7-8)9-2-4-13-10(6-9)11(12)15;1-2(3)4;2-1-3/h2*3-10H,1-2H3,(H2,18,20,22);3-9H,1-2H3,(H,18,21,22);4-10H,3H2,1-2H3;3-9H,1-2H3;4-5H,14H2,1-3H3,(H2,15,20);2-3,5-7H,4H2,1H3,(H,17,18);2-6H,1H3,(H,16,17);2-7H,1H3,(H2,12,15);1H3,(H,3,4);
InChIKeyAIYCUVHBVGDWOD-UHFFFAOYSA-N
MW2474.73 g/mol
LogP20.13
Rot. Bonds20

About acetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid

acetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid (PubChem CID 157449682) has the molecular formula C133H124N32O17S and a molecular weight of 2474.73 g/mol. Its IUPAC name is acetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Nameacetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid
PubChem CID157449682
Molecular FormulaC133H124N32O17S
Molecular Weight2474.73 g/mol
Exact Mass2472.95
IUPAC Nameacetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid
SMILESCC(=O)NC(=O)c1cn(-c2ccnc3ccccc23)nc1C.CC(=O)O.CC(=O)c1cc(-n2nc(C)c(C(N)=O)c2N)cc(C)n1.CC(=O)c1nn(-c2ccnc3ccccc23)cc1C.CCc1nn(-c2ccnc3ccccc23)cc1C(C)=O.Cc1ccn(-c2ccnc(C(N)=O)c2)c1.Cc1cn(-c2ncnc3c2C=CC3)cc1C(=O)O.Cc1cn(-c2ncnc3ccsc23)cc1C(=O)O.O=C=O.[H]/N=C(\C)NC(=O)c1cn(-c2cnc3ccccc3c2)cc1C.[H]/N=C(\C)NC(=O)c1cn(-c2cnc3ccccc3c2)cc1C
InChIInChI=1S/2C17H16N4O.C16H14N4O2.C16H15N3O.C15H13N3O.C13H15N5O2.C13H11N3O2.C12H9N3O2S.C11H11N3O.C2H4O2.CO2/c2*1-11-9-21(10-15(11)17(22)20-12(2)18)14-7-13-5-3-4-6-16(13)19-8-14;1-10-13(16(22)18-11(2)21)9-20(19-10)15-7-8-17-14-6-4-3-5-12(14)15;1-3-14-13(11(2)20)10-19(18-14)16-8-9-17-15-7-5-4-6-12(15)16;1-10-9-18(17-15(10)11(2)19)14-7-8-16-13-6-4-3-5-12(13)14;1-6-4-9(5-10(16-6)8(3)19)18-12(14)11(13(15)20)7(2)17-18;1-8-5-16(6-10(8)13(17)18)12-9-3-2-4-11(9)14-7-15-12;1-7-4-15(5-8(7)12(16)17)11-10-9(2-3-18-10)13-6-14-11;1-8-3-5-14(7-8)9-2-4-13-10(6-9)11(12)15;1-2(3)4;2-1-3/h2*3-10H,1-2H3,(H2,18,20,22);3-9H,1-2H3,(H,18,21,22);4-10H,3H2,1-2H3;3-9H,1-2H3;4-5H,14H2,1-3H3,(H2,15,20);2-3,5-7H,4H2,1H3,(H,17,18);2-6H,1H3,(H,16,17);2-7H,1H3,(H2,12,15);1H3,(H,3,4);
InChIKeyAIYCUVHBVGDWOD-UHFFFAOYSA-N
XLogP20.13
TPSA699.24 Ų
H-Bond Donors11
H-Bond Acceptors42
Rotatable Bonds20
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002474.73
LogP ≤ 520.13
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze acetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid with MolForge

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Related Compounds

3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 157053137
1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;tetrakis(carbon dioxide);1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid
CID 157727079
tris(carbon dioxide);5-[3,5-dimethyl-4-(2-methylphenyl)pyrazol-1-yl]pyridine-3-carboxamide;3-(3,5-dimethyl-4-naphthalen-2-ylpyrazol-1-yl)-5H-indeno[2,1-e][1,2,4]triazine;1-(3,5-dimethylpyrazol-1-yl)phthalazine;4-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidine;4-(3,5-dimethylpyrazol-1-yl)thieno[3,2-d]pyrimidine;3,5-dimethyl-1-quinazolin-4-ylpyrazole-4-carboxylic acid;3,5-dimethyl-1-quinolin-4-ylpyrazole-4-carboxylic acid;4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline;methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide
CID 158429810
N-(2-benzamido-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)benzamide;N-(3,9-dimethyl-2-oxopurin-6-yl)benzamide;N-(8-methyl-2-oxo-3H-pteridin-8-ium-4-yl)benzamide;8-methyl-1H-pteridin-8-ium-2,4-dione;3-methylpteridin-2-one;N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide;3-methyl-10H-pyrimido[5,4-b][1,4]benzothiazin-2-one;N-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)benzamide;N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)benzamide
CID 158587896
(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-naphthyridin-1-yl]-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;N-ethyl-N-propan-2-ylpropan-2-amine;methane;5,6,7,8-tetrahydro-1,7-naphthyridine;5,6,7,8-tetrahydroquinoline;2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid
CID 158836589
bis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid
CID 158887929
6-[[6-(4-acetylpyrazol-1-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-8-methyl-2,7-naphthyridin-1-one;tris(carbon dioxide);5-[3,5-dimethyl-4-(2-methylphenyl)pyrazol-1-yl]pyridine-3-carboxamide;3-(3,5-dimethyl-4-naphthalen-2-ylpyrazol-1-yl)-5H-indeno[2,1-e][1,2,4]triazine;1-(3,5-dimethylpyrazol-1-yl)phthalazine;4-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidine;4-(3,5-dimethylpyrazol-1-yl)thieno[3,2-d]pyrimidine;3,5-dimethyl-1-quinazolin-4-ylpyrazole-4-carboxylic acid;(3,5-dimethyl-1-quinazolin-4-ylpyrazol-4-yl)methanamine;3,5-dimethyl-1-quinolin-4-ylpyrazole-4-carboxylic acid;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine
CID 160057910
1-(2-acetyl-1,3-thiazol-4-yl)-2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]ethanone;2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(1S,3R)-3-[2-(1H-imidazol-5-yl)-2-oxoethyl]cyclohexyl]amino]pyrimidine-4-carboxylic acid;2-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-1-(1-methylimidazol-4-yl)ethanone;1-[(2R,3R)-3-[[3-(5,7-difluoro-1H-indol-3-yl)-1,2,4-triazin-5-yl]methyl]-2-bicyclo[2.2.2]octanyl]ethanone
CID 160733095
bis(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;bis(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine
CID 161250885
tris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine
CID 161308507
carbon dioxide;3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine
CID 161790357
1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;tris(carbon dioxide);1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid
CID 161983617

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid?
The IUPAC name of acetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid (CID 157449682) is acetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid.
What is the SMILES notation for acetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid?
The canonical SMILES for acetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid is CC(=O)NC(=O)c1cn(-c2ccnc3ccccc23)nc1C.CC(=O)O.CC(=O)c1cc(-n2nc(C)c(C(N)=O)c2N)cc(C)n1.CC(=O)c1nn(-c2ccnc3ccccc23)cc1C.CCc1nn(-c2ccnc3ccccc23)cc1C(C)=O.Cc1ccn(-c2ccnc(C(N)=O)c2)c1.Cc1cn(-c2ncnc3c2C=CC3)cc1C(=O)O.Cc1cn(-c2ncnc3ccsc23)cc1C(=O)O.O=C=O.[H]/N=C(\C)NC(=O)c1cn(-c2cnc3ccccc3c2)cc1C.[H]/N=C(\C)NC(=O)c1cn(-c2cnc3ccccc3c2)cc1C.
What is the InChIKey of acetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid?
The InChIKey is AIYCUVHBVGDWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H16N4O.C16H14N4O2.C16H15N3O.C15H13N3O.C13H15N5O2.C13H11N3O2.C12H9N3O2S.C11H11N3O.C2H4O2.CO2/c2*1-11-9-21(10-15(11)17(22)20-12(2)18)14-7-13-5-3-4-6-16(13)19-8-14;1-10-13(16(22)18-11(2)21)9-20(19-10)15-7-8-17-14-6-4-3-5-12(14)15;1-3-14-13(11(2)20)10-19(18-14)16-8-9-17-15-7-5-4-6-12(15)16;1-10-9-18(17-15(10)11(2)19)14-7-8-16-13-6-4-3-5-12(13)14;1-6-4-9(5-10(16-6)8(3)19)18-12(14)11(13(15)20)7(2)17-18;1-8-5-16(6-10(8)13(17)18)12-9-3-2-4-11(9)14-7-15-12;1-7-4-15(5-8(7)12(16)17)11-10-9(2-3-18-10)13-6-14-11;1-8-3-5-14(7-8)9-2-4-13-10(6-9)11(12)15;1-2(3)4;2-1-3/h2*3-10H,1-2H3,(H2,18,20,22);3-9H,1-2H3,(H,18,21,22);4-10H,3H2,1-2H3;3-9H,1-2H3;4-5H,14H2,1-3H3,(H2,15,20);2-3,5-7H,4H2,1H3,(H,17,18);2-6H,1H3,(H,16,17);2-7H,1H3,(H2,12,15);1H3,(H,3,4);.
What are the key properties of acetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid?
acetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid has a molecular weight of 2474.73 g/mol, XLogP of 20.13, 20 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid is sourced from PubChem (CID 157449682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).