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

C144H99ClF13N21O21S8 — CID 159037289

IUPAC2-[(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
SMILESCc1cc(F)c2cc(C(=O)Nc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)nn2c1.Cc1cc(F)c2cc(C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)O)nn2c1.Cc1ccc(-c2csc(NC(=O)c3cc4c(F)cccn4n3)c2C(=O)O)c(F)c1.Cc1ccc(-c2csc(NC(=O)c3cc4cccc(C)n4n3)c2C(=O)O)c(F)c1.Cc1ccc(-c2csc(NC(=O)c3cc4cccc(C)n4n3)c2C(=O)O)c(F)c1F.Cc1ccc(-c2csc(NC(=O)c3nn4ccccc4c3N)c2C(=O)O)c(F)c1F.Cc1ccc2nc(C(=O)Nc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)sc2c1
InChIInChI=1S/C21H14F3N3O3S.C21H15F2N3O3S.C21H14F2N2O3S2.C21H16FN3O3S.C20H13ClFN3O3S.C20H14F2N4O3S.C20H13F2N3O3S/c1-9-5-13(22)15-6-14(26-27(15)7-9)19(28)25-20-16(21(29)30)12(8-31-20)11-4-3-10(2)17(23)18(11)24;1-10-6-7-13(18(23)17(10)22)14-9-30-20(16(14)21(28)29)24-19(27)15-8-12-5-3-4-11(2)26(12)25-15;1-9-3-6-13-14(7-9)30-20(24-13)18(26)25-19-15(21(27)28)12(8-29-19)11-5-4-10(2)16(22)17(11)23;1-11-6-7-14(16(22)8-11)15-10-29-20(18(15)21(27)28)23-19(26)17-9-13-5-3-4-12(2)25(13)24-17;1-10-6-14(22)16-7-15(24-25(16)8-10)18(26)23-19-17(20(27)28)13(9-29-19)11-2-4-12(21)5-3-11;1-9-5-6-10(15(22)14(9)21)11-8-30-19(13(11)20(28)29)24-18(27)17-16(23)12-4-2-3-7-26(12)25-17;1-10-4-5-11(14(22)7-10)12-9-29-19(17(12)20(27)28)23-18(26)15-8-16-13(21)3-2-6-25(16)24-15/h3-8H,1-2H3,(H,25,28)(H,29,30);3-9H,1-2H3,(H,24,27)(H,28,29);3-8H,1-2H3,(H,25,26)(H,27,28);3-10H,1-2H3,(H,23,26)(H,27,28);2-9H,1H3,(H,23,26)(H,27,28);2-8H,23H2,1H3,(H,24,27)(H,28,29);2-9H,1H3,(H,23,26)(H,27,28)
InChIKeyJVPNLPSOABQOJZ-UHFFFAOYSA-N
MW2998.46 g/mol
LogP34.49
Rot. Bonds28

About 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

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 (PubChem CID 159037289) has the molecular formula C144H99ClF13N21O21S8 and a molecular weight of 2998.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID159037289
Molecular FormulaC144H99ClF13N21O21S8
Molecular Weight2998.46 g/mol
Exact Mass2995.46
IUPAC Name2-[(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
SMILESCc1cc(F)c2cc(C(=O)Nc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)nn2c1.Cc1cc(F)c2cc(C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)O)nn2c1.Cc1ccc(-c2csc(NC(=O)c3cc4c(F)cccn4n3)c2C(=O)O)c(F)c1.Cc1ccc(-c2csc(NC(=O)c3cc4cccc(C)n4n3)c2C(=O)O)c(F)c1.Cc1ccc(-c2csc(NC(=O)c3cc4cccc(C)n4n3)c2C(=O)O)c(F)c1F.Cc1ccc(-c2csc(NC(=O)c3nn4ccccc4c3N)c2C(=O)O)c(F)c1F.Cc1ccc2nc(C(=O)Nc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)sc2c1
InChIInChI=1S/C21H14F3N3O3S.C21H15F2N3O3S.C21H14F2N2O3S2.C21H16FN3O3S.C20H13ClFN3O3S.C20H14F2N4O3S.C20H13F2N3O3S/c1-9-5-13(22)15-6-14(26-27(15)7-9)19(28)25-20-16(21(29)30)12(8-31-20)11-4-3-10(2)17(23)18(11)24;1-10-6-7-13(18(23)17(10)22)14-9-30-20(16(14)21(28)29)24-19(27)15-8-12-5-3-4-11(2)26(12)25-15;1-9-3-6-13-14(7-9)30-20(24-13)18(26)25-19-15(21(27)28)12(8-29-19)11-5-4-10(2)16(22)17(11)23;1-11-6-7-14(16(22)8-11)15-10-29-20(18(15)21(27)28)23-19(26)17-9-13-5-3-4-12(2)25(13)24-17;1-10-6-14(22)16-7-15(24-25(16)8-10)18(26)23-19-17(20(27)28)13(9-29-19)11-2-4-12(21)5-3-11;1-9-5-6-10(15(22)14(9)21)11-8-30-19(13(11)20(28)29)24-18(27)17-16(23)12-4-2-3-7-26(12)25-17;1-10-4-5-11(14(22)7-10)12-9-29-19(17(12)20(27)28)23-18(26)15-8-16-13(21)3-2-6-25(16)24-15/h3-8H,1-2H3,(H,25,28)(H,29,30);3-9H,1-2H3,(H,24,27)(H,28,29);3-8H,1-2H3,(H,25,26)(H,27,28);3-10H,1-2H3,(H,23,26)(H,27,28);2-9H,1H3,(H,23,26)(H,27,28);2-8H,23H2,1H3,(H,24,27)(H,28,29);2-9H,1H3,(H,23,26)(H,27,28)
InChIKeyJVPNLPSOABQOJZ-UHFFFAOYSA-N
XLogP34.49
TPSA607.51 Ų
H-Bond Donors15
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002998.46
LogP ≤ 534.49
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Analyze 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 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
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
4-(4-Chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[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-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 158930474
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
2-(1,3-Benzothiazole-6-carbonylamino)-4-(4-bromophenyl)thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
CID 160749831
4-(4-Bromophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
CID 161647110

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(F)c2cc(C(=O)Nc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)nn2c1.Cc1cc(F)c2cc(C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)O)nn2c1.Cc1ccc(-c2csc(NC(=O)c3cc4c(F)cccn4n3)c2C(=O)O)c(F)c1.Cc1ccc(-c2csc(NC(=O)c3cc4cccc(C)n4n3)c2C(=O)O)c(F)c1.Cc1ccc(-c2csc(NC(=O)c3cc4cccc(C)n4n3)c2C(=O)O)c(F)c1F.Cc1ccc(-c2csc(NC(=O)c3nn4ccccc4c3N)c2C(=O)O)c(F)c1F.Cc1ccc2nc(C(=O)Nc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)sc2c1.
What is the InChIKey of 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?
The InChIKey is JVPNLPSOABQOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O3S.C21H15F2N3O3S.C21H14F2N2O3S2.C21H16FN3O3S.C20H13ClFN3O3S.C20H14F2N4O3S.C20H13F2N3O3S/c1-9-5-13(22)15-6-14(26-27(15)7-9)19(28)25-20-16(21(29)30)12(8-31-20)11-4-3-10(2)17(23)18(11)24;1-10-6-7-13(18(23)17(10)22)14-9-30-20(16(14)21(28)29)24-19(27)15-8-12-5-3-4-11(2)26(12)25-15;1-9-3-6-13-14(7-9)30-20(24-13)18(26)25-19-15(21(27)28)12(8-29-19)11-5-4-10(2)16(22)17(11)23;1-11-6-7-14(16(22)8-11)15-10-29-20(18(15)21(27)28)23-19(26)17-9-13-5-3-4-12(2)25(13)24-17;1-10-6-14(22)16-7-15(24-25(16)8-10)18(26)23-19-17(20(27)28)13(9-29-19)11-2-4-12(21)5-3-11;1-9-5-6-10(15(22)14(9)21)11-8-30-19(13(11)20(28)29)24-18(27)17-16(23)12-4-2-3-7-26(12)25-17;1-10-4-5-11(14(22)7-10)12-9-29-19(17(12)20(27)28)23-18(26)15-8-16-13(21)3-2-6-25(16)24-15/h3-8H,1-2H3,(H,25,28)(H,29,30);3-9H,1-2H3,(H,24,27)(H,28,29);3-8H,1-2H3,(H,25,26)(H,27,28);3-10H,1-2H3,(H,23,26)(H,27,28);2-9H,1H3,(H,23,26)(H,27,28);2-8H,23H2,1H3,(H,24,27)(H,28,29);2-9H,1H3,(H,23,26)(H,27,28).
What are the key properties of 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?
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 has a molecular weight of 2998.46 g/mol, XLogP of 34.49, 28 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159037289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).