5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C24H21F2N5O4S — CID 71598720

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71598720) has the molecular formula C24H21F2N5O4S and a molecular weight of 513.53 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 71598720
• Molecular Formula: C24H21F2N5O4S
• Molecular Weight: 513.53 g/mol
• Exact Mass: 513.13
• IUPAC Name: 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COc1ccc(S(=O)(=O)NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)cc23)cn1
• InChI: InChI=1S/C24H21F2N5O4S/c1-35-23-7-5-17(13-27-23)36(33,34)29-24(32)19-14-28-31-10-8-16(12-22(19)31)30-9-2-3-21(30)18-11-15(25)4-6-20(18)26/h4-8,10-14,21H,2-3,9H2,1H3,(H,29,32)/t21-/m1/s1
• InChIKey: NBCKDCTYAKUOHF-OAQYLSRUSA-N
• XLogP: 3.48
• TPSA: 105.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.53
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71598720) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide is COc1ccc(S(=O)(=O)NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)cc23)cn1.

What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is NBCKDCTYAKUOHF-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H21F2N5O4S/c1-35-23-7-5-17(13-27-23)36(33,34)29-24(32)19-14-28-31-10-8-16(12-22(19)31)30-9-2-3-21(30)18-11-15(25)4-6-20(18)26/h4-8,10-14,21H,2-3,9H2,1H3,(H,29,32)/t21-/m1/s1.

What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 513.53 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71598720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).