6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]sulfonyl]imidazo[1,2-a]pyridine-3-carboxamide

C28H28F2N6O4S — CID 118590295

About 6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]sulfonyl]imidazo[1,2-a]pyridine-3-carboxamide

6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]sulfonyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118590295) has the molecular formula C28H28F2N6O4S and a molecular weight of 582.63 g/mol. Its IUPAC name is 6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]sulfonyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]sulfonyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 118590295
• Molecular Formula: C28H28F2N6O4S
• Molecular Weight: 582.63 g/mol
• Exact Mass: 582.19
• IUPAC Name: 6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]sulfonyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: O=C(NS(=O)(=O)c1ccc(N2CC[C@H](O)C2)nc1)c1cnc2ccc(N3CCCCC3c3cc(F)ccc3F)cn12
• InChI: InChI=1S/C28H28F2N6O4S/c29-18-4-7-23(30)22(13-18)24-3-1-2-11-35(24)19-5-8-27-32-15-25(36(27)16-19)28(38)33-41(39,40)21-6-9-26(31-14-21)34-12-10-20(37)17-34/h4-9,13-16,20,24,37H,1-3,10-12,17H2,(H,33,38)/t20-,24?/m0/s1
• InChIKey: SFMGUVSUNVBRNN-QHELBMECSA-N
• XLogP: 3.43
• TPSA: 120.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.63
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]sulfonyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 118590295) is 6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]sulfonyl]imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]sulfonyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NS(=O)(=O)c1ccc(N2CC[C@H](O)C2)nc1)c1cnc2ccc(N3CCCCC3c3cc(F)ccc3F)cn12.

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

The InChIKey is SFMGUVSUNVBRNN-QHELBMECSA-N. The full InChI is InChI=1S/C28H28F2N6O4S/c29-18-4-7-23(30)22(13-18)24-3-1-2-11-35(24)19-5-8-27-32-15-25(36(27)16-19)28(38)33-41(39,40)21-6-9-26(31-14-21)34-12-10-20(37)17-34/h4-9,13-16,20,24,37H,1-3,10-12,17H2,(H,33,38)/t20-,24?/m0/s1.

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

6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]sulfonyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 582.63 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2,5-difluorophenyl)piperidin-1-yl]-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]sulfonyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118590295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).