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

C29H29F2N5O4S — CID 118590304

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

6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118590304) has the molecular formula C29H29F2N5O4S and a molecular weight of 581.65 g/mol. Its IUPAC name is 6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 118590304
• Molecular Formula: C29H29F2N5O4S
• Molecular Weight: 581.65 g/mol
• Exact Mass: 581.19
• IUPAC Name: 6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: O=C(NS(=O)(=O)c1ccc(N2CC[C@H](O)C2)cc1)c1cnc2ccc(N3CCCCC3c3cc(F)ccc3F)cn12
• InChI: InChI=1S/C29H29F2N5O4S/c30-19-4-10-25(31)24(15-19)26-3-1-2-13-35(26)21-7-11-28-32-16-27(36(28)17-21)29(38)33-41(39,40)23-8-5-20(6-9-23)34-14-12-22(37)18-34/h4-11,15-17,22,26,37H,1-3,12-14,18H2,(H,33,38)/t22-,26?/m0/s1
• InChIKey: QRCILUNYLQJXRW-CHQVSRGASA-N
• XLogP: 4.03
• TPSA: 107.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.65
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide (CID 118590304) is 6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide is O=C(NS(=O)(=O)c1ccc(N2CC[C@H](O)C2)cc1)c1cnc2ccc(N3CCCCC3c3cc(F)ccc3F)cn12.

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

The InChIKey is QRCILUNYLQJXRW-CHQVSRGASA-N. The full InChI is InChI=1S/C29H29F2N5O4S/c30-19-4-10-25(31)24(15-19)26-3-1-2-13-35(26)21-7-11-28-32-16-27(36(28)17-21)29(38)33-41(39,40)23-8-5-20(6-9-23)34-14-12-22(37)18-34/h4-11,15-17,22,26,37H,1-3,12-14,18H2,(H,33,38)/t22-,26?/m0/s1.

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

6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 581.65 g/mol, XLogP of 4.03, 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)piperidin-1-yl]-N-[4-[(3S)-3-hydroxypyrrolidin-1-yl]phenyl]sulfonylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118590304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).