2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid

C116H70Br2Cl4F2N18O20S6 — CID 160697813

IUPAC2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2cc3cccc(O)c3o2)c1C(=O)O)c1cc2ccccn2n1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cc2ccccn2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(Cl)cccn2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ccccn2n1
InChIInChI=1S/C21H13N3O5S.C19H11BrFN3O3S.C19H12BrN3O3S.C19H11Cl2N3O3S.C19H11ClFN3O3S.C19H12ClN3O3S/c25-15-6-3-4-11-8-16(29-18(11)15)19-17(21(27)28)14(10-30-19)22-20(26)13-9-12-5-1-2-7-24(12)23-13;20-11-5-3-10(4-6-11)17-16(19(26)27)14(9-28-17)22-18(25)13-8-15-12(21)2-1-7-24(15)23-13;20-12-6-4-11(5-7-12)17-16(19(25)26)15(10-27-17)21-18(24)14-9-13-3-1-2-8-23(13)22-14;2*20-11-5-3-10(4-6-11)17-16(19(26)27)14(9-28-17)22-18(25)13-8-15-12(21)2-1-7-24(15)23-13;20-12-6-4-11(5-7-12)17-16(19(25)26)15(10-27-17)21-18(24)14-9-13-3-1-2-8-23(13)22-14/h1-10,25H,(H,22,26)(H,27,28);1-9H,(H,22,25)(H,26,27);1-10H,(H,21,24)(H,25,26);2*1-9H,(H,22,25)(H,26,27);1-10H,(H,21,24)(H,25,26)
InChIKeyRQFITSOCECCNIK-UHFFFAOYSA-N
MW2567.96 g/mol
LogP28.95
Rot. Bonds24

About 2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid

2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 160697813) has the molecular formula C116H70Br2Cl4F2N18O20S6 and a molecular weight of 2567.96 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
PubChem CID160697813
Molecular FormulaC116H70Br2Cl4F2N18O20S6
Molecular Weight2567.96 g/mol
Exact Mass2562.04
IUPAC Name2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2cc3cccc(O)c3o2)c1C(=O)O)c1cc2ccccn2n1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cc2ccccn2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(Cl)cccn2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ccccn2n1
InChIInChI=1S/C21H13N3O5S.C19H11BrFN3O3S.C19H12BrN3O3S.C19H11Cl2N3O3S.C19H11ClFN3O3S.C19H12ClN3O3S/c25-15-6-3-4-11-8-16(29-18(11)15)19-17(21(27)28)14(10-30-19)22-20(26)13-9-12-5-1-2-7-24(12)23-13;20-11-5-3-10(4-6-11)17-16(19(26)27)14(9-28-17)22-18(25)13-8-15-12(21)2-1-7-24(15)23-13;20-12-6-4-11(5-7-12)17-16(19(25)26)15(10-27-17)21-18(24)14-9-13-3-1-2-8-23(13)22-14;2*20-11-5-3-10(4-6-11)17-16(19(26)27)14(9-28-17)22-18(25)13-8-15-12(21)2-1-7-24(15)23-13;20-12-6-4-11(5-7-12)17-16(19(25)26)15(10-27-17)21-18(24)14-9-13-3-1-2-8-23(13)22-14/h1-10,25H,(H,22,26)(H,27,28);1-9H,(H,22,25)(H,26,27);1-10H,(H,21,24)(H,25,26);2*1-9H,(H,22,25)(H,26,27);1-10H,(H,21,24)(H,25,26)
InChIKeyRQFITSOCECCNIK-UHFFFAOYSA-N
XLogP28.95
TPSA535.57 Ų
H-Bond Donors13
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002567.96
LogP ≤ 528.95
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1032

Analyze 2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid (CID 160697813) is 2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid is O=C(Nc1csc(-c2cc3cccc(O)c3o2)c1C(=O)O)c1cc2ccccn2n1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1cc2ccccn2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(Cl)cccn2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ccccn2n1.
What is the InChIKey of 2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is RQFITSOCECCNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O5S.C19H11BrFN3O3S.C19H12BrN3O3S.C19H11Cl2N3O3S.C19H11ClFN3O3S.C19H12ClN3O3S/c25-15-6-3-4-11-8-16(29-18(11)15)19-17(21(27)28)14(10-30-19)22-20(26)13-9-12-5-1-2-7-24(12)23-13;20-11-5-3-10(4-6-11)17-16(19(26)27)14(9-28-17)22-18(25)13-8-15-12(21)2-1-7-24(15)23-13;20-12-6-4-11(5-7-12)17-16(19(25)26)15(10-27-17)21-18(24)14-9-13-3-1-2-8-23(13)22-14;2*20-11-5-3-10(4-6-11)17-16(19(26)27)14(9-28-17)22-18(25)13-8-15-12(21)2-1-7-24(15)23-13;20-12-6-4-11(5-7-12)17-16(19(25)26)15(10-27-17)21-18(24)14-9-13-3-1-2-8-23(13)22-14/h1-10,25H,(H,22,26)(H,27,28);1-9H,(H,22,25)(H,26,27);1-10H,(H,21,24)(H,25,26);2*1-9H,(H,22,25)(H,26,27);1-10H,(H,21,24)(H,25,26).
What are the key properties of 2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid?
2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 2567.96 g/mol, XLogP of 28.95, 24 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;2-(7-hydroxy-1-benzofuran-2-yl)-4-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 160697813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).