5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one

C75H55F3N28O14S6 — CID 159380323

IUPAC5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one
SMILESCC1(C)C(=O)N(c2cnn(C3=CC(=O)NS3=O)c2)c2ccccc21.Cc1cncc(-c2cnn(C3=CC(=O)NS3=O)c2)n1.Cn1c(=O)n(-c2cnn(C3=CC(=O)NS3=O)c2)c2ccccc21.O=C1C=C(n2cc(-c3cnc(C(F)(F)F)cn3)cn2)S(=O)N1.O=C1C=C(n2cc3cc(-c4cnccn4)ccc3n2)S(=O)N1.O=C1C=C(n2cc3cccnc3n2)S(=O)N1
InChIInChI=1S/C16H14N4O3S.C14H11N5O3S.C14H9N5O2S.C11H6F3N5O2S.C11H9N5O2S.C9H6N4O2S/c1-16(2)11-5-3-4-6-12(11)20(15(16)22)10-8-17-19(9-10)14-7-13(21)18-24(14)23;1-17-10-4-2-3-5-11(10)19(14(17)21)9-7-15-18(8-9)13-6-12(20)16-23(13)22;20-13-6-14(22(21)18-13)19-8-10-5-9(1-2-11(10)17-19)12-7-15-3-4-16-12;12-11(13,14)8-4-15-7(3-16-8)6-2-17-19(5-6)10-1-9(20)18-22(10)21;1-7-3-12-5-9(14-7)8-4-13-16(6-8)11-2-10(17)15-19(11)18;14-7-4-8(16(15)12-7)13-5-6-2-1-3-10-9(6)11-13/h3-9H,1-2H3,(H,18,21);2-8H,1H3,(H,16,20);1-8H,(H,18,20);1-5H,(H,18,20);2-6H,1H3,(H,15,17);1-5H,(H,12,14)
InChIKeyLKVBTWQWNUVTEL-UHFFFAOYSA-N
MW1821.84 g/mol
LogP3.85
Rot. Bonds11

About 5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one

5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one (PubChem CID 159380323) has the molecular formula C75H55F3N28O14S6 and a molecular weight of 1821.84 g/mol. Its IUPAC name is 5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one
PubChem CID159380323
Molecular FormulaC75H55F3N28O14S6
Molecular Weight1821.84 g/mol
Exact Mass1820.27
IUPAC Name5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one
SMILESCC1(C)C(=O)N(c2cnn(C3=CC(=O)NS3=O)c2)c2ccccc21.Cc1cncc(-c2cnn(C3=CC(=O)NS3=O)c2)n1.Cn1c(=O)n(-c2cnn(C3=CC(=O)NS3=O)c2)c2ccccc21.O=C1C=C(n2cc(-c3cnc(C(F)(F)F)cn3)cn2)S(=O)N1.O=C1C=C(n2cc3cc(-c4cnccn4)ccc3n2)S(=O)N1.O=C1C=C(n2cc3cccnc3n2)S(=O)N1
InChIInChI=1S/C16H14N4O3S.C14H11N5O3S.C14H9N5O2S.C11H6F3N5O2S.C11H9N5O2S.C9H6N4O2S/c1-16(2)11-5-3-4-6-12(11)20(15(16)22)10-8-17-19(9-10)14-7-13(21)18-24(14)23;1-17-10-4-2-3-5-11(10)19(14(17)21)9-7-15-18(8-9)13-6-12(20)16-23(13)22;20-13-6-14(22(21)18-13)19-8-10-5-9(1-2-11(10)17-19)12-7-15-3-4-16-12;12-11(13,14)8-4-15-7(3-16-8)6-2-17-19(5-6)10-1-9(20)18-22(10)21;1-7-3-12-5-9(14-7)8-4-13-16(6-8)11-2-10(17)15-19(11)18;14-7-4-8(16(15)12-7)13-5-6-2-1-3-10-9(6)11-13/h3-9H,1-2H3,(H,18,21);2-8H,1H3,(H,16,20);1-8H,(H,18,20);1-5H,(H,18,20);2-6H,1H3,(H,15,17);1-5H,(H,12,14)
InChIKeyLKVBTWQWNUVTEL-UHFFFAOYSA-N
XLogP3.85
TPSA521.41 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds11
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001821.84
LogP ≤ 53.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze 5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one
CID 157259556
7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
CID 157672525
Bis(5-(4-fluoro-3-methylphenyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione);5-methyl-5-pyridin-2-yl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
CID 157938731
7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
CID 158189510
5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide
CID 158229716
(1R,22R,25S)-16-acetyl-3-methyl-13-(2-methylpyrimidin-5-yl)-25-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-3,12,17,18,21-pentazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione;(1R,22R,25S)-3-methyl-13-(2-methylpyrimidin-5-yl)-25-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-4,20-dioxo-3,12,17,18,21-pentazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-16-carboxamide;(1R,22R,25S)-3-methyl-13-(2-methylpyrimidin-5-yl)-25-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-16-carboxamide;(1R,22R,25S)-13-(2-methylpyrimidin-5-yl)-25-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-4,20-dioxo-12,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-16-carboxamide
CID 158741873
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine;2,2-dimethyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-phenyl-N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 158896729
(1R,25S)-16-acetyl-13-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-13-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-13-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide
CID 159974030
(7S,8aS)-2-[5-(3,3-difluorobutyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-7-[3-(3-methylbenzimidazol-4-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-(1,2,3,4-tetrahydroquinoxalin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-(5-methylpyrimidin-2-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 159988736
5-Methyl-5-(3-methylphenyl)-2-[8-(3,3,4,4,4-pentafluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-5-pyridin-2-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
CID 160118474
(1R,22R,25S)-16-acetyl-N-(3,3-dimethylbutyl)-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-25-carboxamide;(1R,22R,25S)-16-acetyl-5,5-dimethyl-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide
CID 160389273
(5,6-difluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-methyl-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 160485975

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one?
The IUPAC name of 5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one (CID 159380323) is 5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one.
What is the SMILES notation for 5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one?
The canonical SMILES for 5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one is CC1(C)C(=O)N(c2cnn(C3=CC(=O)NS3=O)c2)c2ccccc21.Cc1cncc(-c2cnn(C3=CC(=O)NS3=O)c2)n1.Cn1c(=O)n(-c2cnn(C3=CC(=O)NS3=O)c2)c2ccccc21.O=C1C=C(n2cc(-c3cnc(C(F)(F)F)cn3)cn2)S(=O)N1.O=C1C=C(n2cc3cc(-c4cnccn4)ccc3n2)S(=O)N1.O=C1C=C(n2cc3cccnc3n2)S(=O)N1.
What is the InChIKey of 5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one?
The InChIKey is LKVBTWQWNUVTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S.C14H11N5O3S.C14H9N5O2S.C11H6F3N5O2S.C11H9N5O2S.C9H6N4O2S/c1-16(2)11-5-3-4-6-12(11)20(15(16)22)10-8-17-19(9-10)14-7-13(21)18-24(14)23;1-17-10-4-2-3-5-11(10)19(14(17)21)9-7-15-18(8-9)13-6-12(20)16-23(13)22;20-13-6-14(22(21)18-13)19-8-10-5-9(1-2-11(10)17-19)12-7-15-3-4-16-12;12-11(13,14)8-4-15-7(3-16-8)6-2-17-19(5-6)10-1-9(20)18-22(10)21;1-7-3-12-5-9(14-7)8-4-13-16(6-8)11-2-10(17)15-19(11)18;14-7-4-8(16(15)12-7)13-5-6-2-1-3-10-9(6)11-13/h3-9H,1-2H3,(H,18,21);2-8H,1H3,(H,16,20);1-8H,(H,18,20);1-5H,(H,18,20);2-6H,1H3,(H,15,17);1-5H,(H,12,14).
What are the key properties of 5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one?
5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one has a molecular weight of 1821.84 g/mol, XLogP of 3.85, 11 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,3-dimethyl-2-oxoindol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[4-(6-methylpyrazin-2-yl)pyrazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-(5-pyrazin-2-ylindazol-2-yl)-1,2-thiazol-3-one;1-oxo-5-pyrazolo[3,4-b]pyridin-2-yl-1,2-thiazol-3-one;1-oxo-5-[4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-1-yl]-1,2-thiazol-3-one is sourced from PubChem (CID 159380323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).