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

C91H55Cl5F2N20O15S6 — CID 158183982

About 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

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 (PubChem CID 158183982) has the molecular formula C91H55Cl5F2N20O15S6 and a molecular weight of 2076.23 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158183982
• Molecular Formula: C91H55Cl5F2N20O15S6
• Molecular Weight: 2076.23 g/mol
• Exact Mass: 2072.09
• IUPAC Name: 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
• SMILES: CC(F)(F)c1ccnc2cc(C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)O)nn12.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ncccn2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2nccnc2s1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2cccnc2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2ncccn2n1
• InChI: InChI=1S/C20H13ClF2N4O3S.2C18H11ClN4O3S.C18H10ClN3O3S2.C17H10ClN5O3S/c1-20(22,23)14-6-7-24-15-8-13(26-27(14)15)17(28)25-18-16(19(29)30)12(9-31-18)10-2-4-11(21)5-3-10;19-11-4-2-10(3-5-11)12-9-27-16(14(12)17(25)26)22-15(24)13-8-23-7-1-6-20-18(23)21-13;19-11-4-2-10(3-5-11)12-9-27-17(15(12)18(25)26)21-16(24)13-8-14-20-6-1-7-23(14)22-13;19-10-3-1-9(2-4-10)11-8-26-17(14(11)18(24)25)22-15(23)13-7-12-16(27-13)21-6-5-20-12;18-10-4-2-9(3-5-10)11-8-27-15(12(11)16(25)26)21-14(24)13-20-17-19-6-1-7-23(17)22-13/h2-9H,1H3,(H,25,28)(H,29,30);1-9H,(H,22,24)(H,25,26);1-9H,(H,21,24)(H,25,26);1-8H,(H,22,23)(H,24,25);1-8H,(H,21,24)(H,25,26)
• InChIKey: FYXUTJAVGBRHHW-UHFFFAOYSA-N
• XLogP: 21.78
• TPSA: 491.43 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2076.23
LogP ≤ 5	21.78
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(F)(F)c1ccnc2cc(C(=O)Nc3scc(-c4ccc(Cl)cc4)c3C(=O)O)nn12.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ncccn2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2nccnc2s1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2cccnc2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2ncccn2n1.

What is the InChIKey of 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?

The InChIKey is FYXUTJAVGBRHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N4O3S.2C18H11ClN4O3S.C18H10ClN3O3S2.C17H10ClN5O3S/c1-20(22,23)14-6-7-24-15-8-13(26-27(14)15)17(28)25-18-16(19(29)30)12(9-31-18)10-2-4-11(21)5-3-10;19-11-4-2-10(3-5-11)12-9-27-16(14(12)17(25)26)22-15(24)13-8-23-7-1-6-20-18(23)21-13;19-11-4-2-10(3-5-11)12-9-27-17(15(12)18(25)26)21-16(24)13-8-14-20-6-1-7-23(14)22-13;19-10-3-1-9(2-4-10)11-8-26-17(14(11)18(24)25)22-15(23)13-7-12-16(27-13)21-6-5-20-12;18-10-4-2-9(3-5-10)11-8-27-15(12(11)16(25)26)21-14(24)13-20-17-19-6-1-7-23(17)22-13/h2-9H,1H3,(H,25,28)(H,29,30);1-9H,(H,22,24)(H,25,26);1-9H,(H,21,24)(H,25,26);1-8H,(H,22,23)(H,24,25);1-8H,(H,21,24)(H,25,26).

What are the key properties of 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?

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 has a molecular weight of 2076.23 g/mol, XLogP of 21.78, 21 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158183982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).