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

C28H27F2N5O4S — CID 118590455

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

6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(3-hydroxypyrrolidin-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118590455) has the molecular formula C28H27F2N5O4S and a molecular weight of 567.62 g/mol. Its IUPAC name is 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(3-hydroxypyrrolidin-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(3-hydroxypyrrolidin-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 118590455
• Molecular Formula: C28H27F2N5O4S
• Molecular Weight: 567.62 g/mol
• Exact Mass: 567.18
• IUPAC Name: 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(3-hydroxypyrrolidin-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: O=C(NS(=O)(=O)c1ccc(N2CCC(O)C2)cc1)c1cnc2ccc(N3CCCC3c3cc(F)ccc3F)cn12
• InChI: InChI=1S/C28H27F2N5O4S/c29-18-3-9-24(30)23(14-18)25-2-1-12-34(25)20-6-10-27-31-15-26(35(27)16-20)28(37)32-40(38,39)22-7-4-19(5-8-22)33-13-11-21(36)17-33/h3-10,14-16,21,25,36H,1-2,11-13,17H2,(H,32,37)
• InChIKey: ZARSVBSYFSBWPS-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 107.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.62
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(3-hydroxypyrrolidin-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide (CID 118590455) is 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(3-hydroxypyrrolidin-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(3-hydroxypyrrolidin-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide is O=C(NS(=O)(=O)c1ccc(N2CCC(O)C2)cc1)c1cnc2ccc(N3CCCC3c3cc(F)ccc3F)cn12.

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

The InChIKey is ZARSVBSYFSBWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N5O4S/c29-18-3-9-24(30)23(14-18)25-2-1-12-34(25)20-6-10-27-31-15-26(35(27)16-20)28(37)32-40(38,39)22-7-4-19(5-8-22)33-13-11-21(36)17-33/h3-10,14-16,21,25,36H,1-2,11-13,17H2,(H,32,37).

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

6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(3-hydroxypyrrolidin-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 567.62 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(3-hydroxypyrrolidin-1-yl)phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118590455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).