6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide

C26H21F2N7O3S — CID 118590605

About 6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide

6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118590605) has the molecular formula C26H21F2N7O3S and a molecular weight of 549.56 g/mol. Its IUPAC name is 6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 118590605
• Molecular Formula: C26H21F2N7O3S
• Molecular Weight: 549.56 g/mol
• Exact Mass: 549.14
• IUPAC Name: 6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: O=C(NS(=O)(=O)c1ccc(-n2cncn2)cc1)c1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cn12
• InChI: InChI=1S/C26H21F2N7O3S/c27-17-3-9-22(28)21(12-17)23-2-1-11-33(23)19-6-10-25-30-13-24(34(25)14-19)26(36)32-39(37,38)20-7-4-18(5-8-20)35-16-29-15-31-35/h3-10,12-16,23H,1-2,11H2,(H,32,36)/t23-/m1/s1
• InChIKey: JWRYWXYLBZJRKD-HSZRJFAPSA-N
• XLogP: 3.65
• TPSA: 114.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.56
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide (CID 118590605) is 6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide is O=C(NS(=O)(=O)c1ccc(-n2cncn2)cc1)c1cnc2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cn12.

What is the InChIKey of 6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is JWRYWXYLBZJRKD-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H21F2N7O3S/c27-17-3-9-22(28)21(12-17)23-2-1-11-33(23)19-6-10-25-30-13-24(34(25)14-19)26(36)32-39(37,38)20-7-4-18(5-8-20)35-16-29-15-31-35/h3-10,12-16,23H,1-2,11H2,(H,32,36)/t23-/m1/s1.

What are the key properties of 6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide?

6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 549.56 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118590605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).