2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid

C90H52Cl5F3N20O15S6 — CID 160602348

IUPAC2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2nccc(C(F)(F)F)n2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ncccn2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2nccnc2s1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2cccnc2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2ncccn2n1
InChIInChI=1S/C19H10ClF3N4O3S.2C18H11ClN4O3S.C18H10ClN3O3S2.C17H10ClN5O3S/c20-10-3-1-9(2-4-10)16-15(18(29)30)12(8-31-16)25-17(28)11-7-14-24-6-5-13(19(21,22)23)27(14)26-11;19-11-4-2-10(3-5-11)15-14(17(25)26)13(9-27-15)21-16(24)12-8-23-7-1-6-20-18(23)22-12;19-11-4-2-10(3-5-11)16-15(18(25)26)13(9-27-16)21-17(24)12-8-14-20-6-1-7-23(14)22-12;19-10-3-1-9(2-4-10)15-14(18(24)25)12(8-26-15)22-16(23)13-7-11-17(27-13)21-6-5-20-11;18-10-4-2-9(3-5-10)13-12(16(25)26)11(8-27-13)20-15(24)14-21-17-19-6-1-7-23(17)22-14/h1-8H,(H,25,28)(H,29,30);2*1-9H,(H,21,24)(H,25,26);1-8H,(H,22,23)(H,24,25);1-8H,(H,20,24)(H,25,26)
InChIKeyRELFFSOQAIJONE-UHFFFAOYSA-N
MW2080.19 g/mol
LogP21.68
Rot. Bonds20

About 2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid

2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid (PubChem CID 160602348) has the molecular formula C90H52Cl5F3N20O15S6 and a molecular weight of 2080.19 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid
PubChem CID160602348
Molecular FormulaC90H52Cl5F3N20O15S6
Molecular Weight2080.19 g/mol
Exact Mass2076.06
IUPAC Name2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2nccc(C(F)(F)F)n2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ncccn2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2nccnc2s1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2cccnc2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2ncccn2n1
InChIInChI=1S/C19H10ClF3N4O3S.2C18H11ClN4O3S.C18H10ClN3O3S2.C17H10ClN5O3S/c20-10-3-1-9(2-4-10)16-15(18(29)30)12(8-31-16)25-17(28)11-7-14-24-6-5-13(19(21,22)23)27(14)26-11;19-11-4-2-10(3-5-11)15-14(17(25)26)13(9-27-15)21-16(24)12-8-23-7-1-6-20-18(23)22-12;19-11-4-2-10(3-5-11)16-15(18(25)26)13(9-27-16)21-17(24)12-8-14-20-6-1-7-23(14)22-12;19-10-3-1-9(2-4-10)15-14(18(24)25)12(8-26-15)22-16(23)13-7-11-17(27-13)21-6-5-20-11;18-10-4-2-9(3-5-10)13-12(16(25)26)11(8-27-13)20-15(24)14-21-17-19-6-1-7-23(17)22-14/h1-8H,(H,25,28)(H,29,30);2*1-9H,(H,21,24)(H,25,26);1-8H,(H,22,23)(H,24,25);1-8H,(H,20,24)(H,25,26)
InChIKeyRELFFSOQAIJONE-UHFFFAOYSA-N
XLogP21.68
TPSA491.43 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002080.19
LogP ≤ 521.68
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Analyze 2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid with MolForge

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Related Compounds

4-(4-Chlorophenyl)-2-[[7-(1,1-difluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid
CID 158183982
4-chloro-N-(4-chlorophenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methylphenyl)-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 159170144
4-chloro-N-(2-chlorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoic acid;4-chloro-3-methyl-1-phenyl-N-(1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-thiophen-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 159531832
2-(4-Chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
CID 123195373
2-(4-Bromophenyl)-4-[(3-fluoro-8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid
CID 157199491
Tert-butyl 4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylate;2-[(2-chloro-1-methylpyrrole-3-carbonyl)amino]-4-(2,5-dimethylpyrazol-3-yl)thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyrazine-2-carbonylamino)thiophene-3-carboxylic acid;4-[1-(4-chlorophenyl)pyrazol-4-yl]-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid;4-(2,5-dimethylpyrazol-3-yl)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
CID 157442158
4-(4-Bromophenyl)-2-[(3-fluoro-8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid
CID 157695727
4-(4-Bromophenyl)-2-[(3-fluoro-8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid
CID 158434803
2-[(3-Aminopyrazolo[1,5-a]pyridine-2-carbonyl)amino]-4-(2,3-difluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methyl-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 159037289
2-[(3-Aminopyrazolo[1,5-a]pyridine-2-carbonyl)amino]-4-(2,3-difluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(6-methyl-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methyl-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 159162586
4-(4-Bromophenyl)-2-[(3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(3-fluoro-8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(indolizine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(indolizine-6-carbonylamino)thiophene-3-carboxylic acid
CID 159745809
2-(4-Chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
CID 160802656

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid (CID 160602348) is 2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid is O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2nccc(C(F)(F)F)n2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ncccn2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2nccnc2s1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2cccnc2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2ncccn2n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid?
The InChIKey is RELFFSOQAIJONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N4O3S.2C18H11ClN4O3S.C18H10ClN3O3S2.C17H10ClN5O3S/c20-10-3-1-9(2-4-10)16-15(18(29)30)12(8-31-16)25-17(28)11-7-14-24-6-5-13(19(21,22)23)27(14)26-11;19-11-4-2-10(3-5-11)15-14(17(25)26)13(9-27-15)21-16(24)12-8-23-7-1-6-20-18(23)22-12;19-11-4-2-10(3-5-11)16-15(18(25)26)13(9-27-16)21-17(24)12-8-14-20-6-1-7-23(14)22-12;19-10-3-1-9(2-4-10)15-14(18(24)25)12(8-26-15)22-16(23)13-7-11-17(27-13)21-6-5-20-11;18-10-4-2-9(3-5-10)13-12(16(25)26)11(8-27-13)20-15(24)14-21-17-19-6-1-7-23(17)22-14/h1-8H,(H,25,28)(H,29,30);2*1-9H,(H,21,24)(H,25,26);1-8H,(H,22,23)(H,24,25);1-8H,(H,20,24)(H,25,26).
What are the key properties of 2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid?
2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid has a molecular weight of 2080.19 g/mol, XLogP of 21.68, 20 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(imidazo[1,2-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-b]pyrazine-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 160602348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).