N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide

C74H44Cl2F6N24O10S4 — CID 158569818

About N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 158569818) has the molecular formula C74H44Cl2F6N24O10S4 and a molecular weight of 1742.49 g/mol. Its IUPAC name is N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
• PubChem CID: 158569818
• Molecular Formula: C74H44Cl2F6N24O10S4
• Molecular Weight: 1742.49 g/mol
• Exact Mass: 1740.18
• IUPAC Name: N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
• SMILES: COc1ncc(-c2ccn3ncc(C#N)c3n2)cc1NS(=O)(=O)c1ccc(F)cc1.COc1ncc(-c2ccn3ncc(C#N)c3n2)cc1NS(=O)(=O)c1ccc(F)cc1F.N#Cc1cnn2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)nc12.N#Cc1cnn2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4F)c3)nc12
• InChI: InChI=1S/C19H12F2N6O3S.C19H13FN6O3S.C18H9ClF2N6O2S.C18H10ClFN6O2S/c1-30-19-16(26-31(28,29)17-3-2-13(20)7-14(17)21)6-11(9-23-19)15-4-5-27-18(25-15)12(8-22)10-24-27;1-29-19-17(25-30(27,28)15-4-2-14(20)3-5-15)8-12(10-22-19)16-6-7-26-18(24-16)13(9-21)11-23-26;19-17-15(26-30(28,29)16-2-1-12(20)6-13(16)21)5-10(8-23-17)14-3-4-27-18(25-14)11(7-22)9-24-27;19-17-16(25-29(27,28)14-3-1-13(20)2-4-14)7-11(9-22-17)15-5-6-26-18(24-15)12(8-21)10-23-26/h2-7,9-10,26H,1H3;2-8,10-11,25H,1H3;1-6,8-9,26H;1-7,9-10,25H
• InChIKey: HRYBATUEBQPDOD-UHFFFAOYSA-N
• XLogP: 12.01
• TPSA: 470.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1742.49
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide?

The IUPAC name of N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 158569818) is N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide.

What is the SMILES notation for N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide?

The canonical SMILES for N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide is COc1ncc(-c2ccn3ncc(C#N)c3n2)cc1NS(=O)(=O)c1ccc(F)cc1.COc1ncc(-c2ccn3ncc(C#N)c3n2)cc1NS(=O)(=O)c1ccc(F)cc1F.N#Cc1cnn2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)nc12.N#Cc1cnn2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4F)c3)nc12.

What is the InChIKey of N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide?

The InChIKey is HRYBATUEBQPDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N6O3S.C19H13FN6O3S.C18H9ClF2N6O2S.C18H10ClFN6O2S/c1-30-19-16(26-31(28,29)17-3-2-13(20)7-14(17)21)6-11(9-23-19)15-4-5-27-18(25-15)12(8-22)10-24-27;1-29-19-17(25-30(27,28)15-4-2-14(20)3-5-15)8-12(10-22-19)16-6-7-26-18(24-16)13(9-21)11-23-26;19-17-15(26-30(28,29)16-2-1-12(20)6-13(16)21)5-10(8-23-17)14-3-4-27-18(25-14)11(7-22)9-24-27;19-17-16(25-29(27,28)14-3-1-13(20)2-4-14)7-11(9-22-17)15-5-6-26-18(24-15)12(8-21)10-23-26/h2-7,9-10,26H,1H3;2-8,10-11,25H,1H3;1-6,8-9,26H;1-7,9-10,25H.

What are the key properties of N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide?

N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 1742.49 g/mol, XLogP of 12.01, 18 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 158569818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).