N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C25H19F2N5O3S — CID 78127945

About N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 78127945) has the molecular formula C25H19F2N5O3S and a molecular weight of 507.52 g/mol. Its IUPAC name is N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 78127945
• Molecular Formula: C25H19F2N5O3S
• Molecular Weight: 507.52 g/mol
• Exact Mass: 507.12
• IUPAC Name: N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: N#Cc1cccc(S(=O)(=O)NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc23)c1
• InChI: InChI=1S/C25H19F2N5O3S/c26-17-6-7-22(27)20(12-17)23-5-2-9-31(23)18-8-10-32-24(13-18)21(15-29-32)25(33)30-36(34,35)19-4-1-3-16(11-19)14-28/h1,3-4,6-8,10-13,15,23H,2,5,9H2,(H,30,33)
• InChIKey: HIPHBUIYVSZPCO-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 107.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.52
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 78127945) is N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is N#Cc1cccc(S(=O)(=O)NC(=O)c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)cc23)c1.

What is the InChIKey of N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is HIPHBUIYVSZPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N5O3S/c26-17-6-7-22(27)20(12-17)23-5-2-9-31(23)18-8-10-32-24(13-18)21(15-29-32)25(33)30-36(34,35)19-4-1-3-16(11-19)14-28/h1,3-4,6-8,10-13,15,23H,2,5,9H2,(H,30,33).

What are the key properties of N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 507.52 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 78127945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).