N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H16ClF2N7O3S — CID 19447200

About N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19447200) has the molecular formula C24H16ClF2N7O3S and a molecular weight of 555.95 g/mol. Its IUPAC name is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19447200
• Molecular Formula: C24H16ClF2N7O3S
• Molecular Weight: 555.95 g/mol
• Exact Mass: 555.07
• IUPAC Name: N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
• InChI: InChI=1S/C24H16ClF2N7O3S/c25-20-10-11-21(32-31-20)33-38(36,37)16-8-6-15(7-9-16)29-24(35)17-13-28-34-19(22(26)27)12-18(30-23(17)34)14-4-2-1-3-5-14/h1-13,22H,(H,29,35)(H,32,33)
• InChIKey: GROOKKIPBVJRDV-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 131.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.95
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19447200) is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.

What is the InChIKey of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GROOKKIPBVJRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF2N7O3S/c25-20-10-11-21(32-31-20)33-38(36,37)16-8-6-15(7-9-16)29-24(35)17-13-28-34-19(22(26)27)12-18(30-23(17)34)14-4-2-1-3-5-14/h1-13,22H,(H,29,35)(H,32,33).

What are the key properties of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 555.95 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19447200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).