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

C24H21F2N5O4S — CID 140893645

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

N-[[2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-6-methoxy-3-pyridinyl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 140893645) has the molecular formula C24H21F2N5O4S and a molecular weight of 513.53 g/mol. Its IUPAC name is N-[[2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-6-methoxy-3-pyridinyl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-6-methoxy-3-pyridinyl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 140893645
• Molecular Formula: C24H21F2N5O4S
• Molecular Weight: 513.53 g/mol
• Exact Mass: 513.13
• IUPAC Name: N-[[2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-6-methoxy-3-pyridinyl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COc1ccc(S(=O)(=O)NC(=O)c2cnn3ccccc23)c(N2CCC[C@@H]2c2cc(F)ccc2F)n1
• InChI: InChI=1S/C24H21F2N5O4S/c1-35-22-10-9-21(36(33,34)29-24(32)17-14-27-31-12-3-2-5-20(17)31)23(28-22)30-11-4-6-19(30)16-13-15(25)7-8-18(16)26/h2-3,5,7-10,12-14,19H,4,6,11H2,1H3,(H,29,32)/t19-/m1/s1
• InChIKey: GAGYBGFRFHZCAL-LJQANCHMSA-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 N-[[2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-6-methoxy-3-pyridinyl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[[2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-6-methoxy-3-pyridinyl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 140893645) is N-[[2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-6-methoxy-3-pyridinyl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

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

The canonical SMILES for N-[[2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-6-methoxy-3-pyridinyl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide is COc1ccc(S(=O)(=O)NC(=O)c2cnn3ccccc23)c(N2CCC[C@@H]2c2cc(F)ccc2F)n1.

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

The InChIKey is GAGYBGFRFHZCAL-LJQANCHMSA-N. The full InChI is InChI=1S/C24H21F2N5O4S/c1-35-22-10-9-21(36(33,34)29-24(32)17-14-27-31-12-3-2-5-20(17)31)23(28-22)30-11-4-6-19(30)16-13-15(25)7-8-18(16)26/h2-3,5,7-10,12-14,19H,4,6,11H2,1H3,(H,29,32)/t19-/m1/s1.

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

N-[[2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-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 N-[[2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-6-methoxy-3-pyridinyl]sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 140893645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).