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

C135H82Br3Cl3F6N20O21S8 — CID 160749831

IUPAC2-(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
SMILESCc1ccc(-c2csc(NC(=O)c3cc4c(F)cccn4n3)c2C(=O)O)c(F)c1F.Cc1ccc(-c2csc(NC(=O)c3cc4ccccn4n3)c2C(=O)O)c(F)c1F.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1cc2ccccn2n1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1ccc2ncsc2c1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(Cl)cccn2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ccccn2n1
InChIInChI=1S/C20H12F3N3O3S.C20H13F2N3O3S.C19H11BrFN3O3S.C19H12BrN3O3S.C19H11BrN2O3S2.C19H11Cl2N3O3S.C19H12ClN3O3S/c1-9-4-5-10(17(23)16(9)22)11-8-30-19(15(11)20(28)29)24-18(27)13-7-14-12(21)3-2-6-26(14)25-13;1-10-5-6-12(17(22)16(10)21)13-9-29-19(15(13)20(27)28)23-18(26)14-8-11-4-2-3-7-25(11)24-14;20-11-5-3-10(4-6-11)12-9-28-18(16(12)19(26)27)22-17(25)14-8-15-13(21)2-1-7-24(15)23-14;20-12-6-4-11(5-7-12)14-10-27-18(16(14)19(25)26)21-17(24)15-9-13-3-1-2-8-23(13)22-15;20-12-4-1-10(2-5-12)13-8-26-18(16(13)19(24)25)22-17(23)11-3-6-14-15(7-11)27-9-21-14;20-11-5-3-10(4-6-11)12-9-28-18(16(12)19(26)27)22-17(25)14-8-15-13(21)2-1-7-24(15)23-14;20-12-6-4-11(5-7-12)14-10-27-18(16(14)19(25)26)21-17(24)15-9-13-3-1-2-8-23(13)22-15/h2-8H,1H3,(H,24,27)(H,28,29);2-9H,1H3,(H,23,26)(H,27,28);1-9H,(H,22,25)(H,26,27);1-10H,(H,21,24)(H,25,26);1-9H,(H,22,23)(H,24,25);1-9H,(H,22,25)(H,26,27);1-10H,(H,21,24)(H,25,26)
InChIKeyRWQZRJZRWSCGMR-UHFFFAOYSA-N
MW3036.85 g/mol
LogP34.75
Rot. Bonds28

About 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

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 (PubChem CID 160749831) has the molecular formula C135H82Br3Cl3F6N20O21S8 and a molecular weight of 3036.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID160749831
Molecular FormulaC135H82Br3Cl3F6N20O21S8
Molecular Weight3036.85 g/mol
Exact Mass3030.02
IUPAC Name2-(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
SMILESCc1ccc(-c2csc(NC(=O)c3cc4c(F)cccn4n3)c2C(=O)O)c(F)c1F.Cc1ccc(-c2csc(NC(=O)c3cc4ccccn4n3)c2C(=O)O)c(F)c1F.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1cc2ccccn2n1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1ccc2ncsc2c1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(Cl)cccn2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ccccn2n1
InChIInChI=1S/C20H12F3N3O3S.C20H13F2N3O3S.C19H11BrFN3O3S.C19H12BrN3O3S.C19H11BrN2O3S2.C19H11Cl2N3O3S.C19H12ClN3O3S/c1-9-4-5-10(17(23)16(9)22)11-8-30-19(15(11)20(28)29)24-18(27)13-7-14-12(21)3-2-6-26(14)25-13;1-10-5-6-12(17(22)16(10)21)13-9-29-19(15(13)20(27)28)23-18(26)14-8-11-4-2-3-7-25(11)24-14;20-11-5-3-10(4-6-11)12-9-28-18(16(12)19(26)27)22-17(25)14-8-15-13(21)2-1-7-24(15)23-14;20-12-6-4-11(5-7-12)14-10-27-18(16(14)19(25)26)21-17(24)15-9-13-3-1-2-8-23(13)22-15;20-12-4-1-10(2-5-12)13-8-26-18(16(13)19(24)25)22-17(23)11-3-6-14-15(7-11)27-9-21-14;20-11-5-3-10(4-6-11)12-9-28-18(16(12)19(26)27)22-17(25)14-8-15-13(21)2-1-7-24(15)23-14;20-12-6-4-11(5-7-12)14-10-27-18(16(14)19(25)26)21-17(24)15-9-13-3-1-2-8-23(13)22-15/h2-8H,1H3,(H,24,27)(H,28,29);2-9H,1H3,(H,23,26)(H,27,28);1-9H,(H,22,25)(H,26,27);1-10H,(H,21,24)(H,25,26);1-9H,(H,22,23)(H,24,25);1-9H,(H,22,25)(H,26,27);1-10H,(H,21,24)(H,25,26)
InChIKeyRWQZRJZRWSCGMR-UHFFFAOYSA-N
XLogP34.75
TPSA581.49 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003036.85
LogP ≤ 534.75
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-[(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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2csc(NC(=O)c3cc4c(F)cccn4n3)c2C(=O)O)c(F)c1F.Cc1ccc(-c2csc(NC(=O)c3cc4ccccn4n3)c2C(=O)O)c(F)c1F.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1cc2ccccn2n1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1ccc2ncsc2c1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(Cl)cccn2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ccccn2n1.
What is the InChIKey of 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?
The InChIKey is RWQZRJZRWSCGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O3S.C20H13F2N3O3S.C19H11BrFN3O3S.C19H12BrN3O3S.C19H11BrN2O3S2.C19H11Cl2N3O3S.C19H12ClN3O3S/c1-9-4-5-10(17(23)16(9)22)11-8-30-19(15(11)20(28)29)24-18(27)13-7-14-12(21)3-2-6-26(14)25-13;1-10-5-6-12(17(22)16(10)21)13-9-29-19(15(13)20(27)28)23-18(26)14-8-11-4-2-3-7-25(11)24-14;20-11-5-3-10(4-6-11)12-9-28-18(16(12)19(26)27)22-17(25)14-8-15-13(21)2-1-7-24(15)23-14;20-12-6-4-11(5-7-12)14-10-27-18(16(14)19(25)26)21-17(24)15-9-13-3-1-2-8-23(13)22-15;20-12-4-1-10(2-5-12)13-8-26-18(16(13)19(24)25)22-17(23)11-3-6-14-15(7-11)27-9-21-14;20-11-5-3-10(4-6-11)12-9-28-18(16(12)19(26)27)22-17(25)14-8-15-13(21)2-1-7-24(15)23-14;20-12-6-4-11(5-7-12)14-10-27-18(16(14)19(25)26)21-17(24)15-9-13-3-1-2-8-23(13)22-15/h2-8H,1H3,(H,24,27)(H,28,29);2-9H,1H3,(H,23,26)(H,27,28);1-9H,(H,22,25)(H,26,27);1-10H,(H,21,24)(H,25,26);1-9H,(H,22,23)(H,24,25);1-9H,(H,22,25)(H,26,27);1-10H,(H,21,24)(H,25,26).
What are the key properties of 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?
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 has a molecular weight of 3036.85 g/mol, XLogP of 34.75, 28 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160749831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).