6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide

C26H28F2N4O5S — CID 118590503

About 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide

6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118590503) has the molecular formula C26H28F2N4O5S and a molecular weight of 546.60 g/mol. Its IUPAC name is 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 118590503
• Molecular Formula: C26H28F2N4O5S
• Molecular Weight: 546.60 g/mol
• Exact Mass: 546.17
• IUPAC Name: 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CC1(S(=O)(=O)NC(=O)c2cnc3ccc(N4C[C@@H](F)C[C@@H]4c4cc(F)ccc4OC4CCOC4)cn23)CC1
• InChI: InChI=1S/C26H28F2N4O5S/c1-26(7-8-26)38(34,35)30-25(33)22-12-29-24-5-3-18(14-32(22)24)31-13-17(28)11-21(31)20-10-16(27)2-4-23(20)37-19-6-9-36-15-19/h2-5,10,12,14,17,19,21H,6-9,11,13,15H2,1H3,(H,30,33)/t17-,19?,21+/m0/s1
• InChIKey: VCJJLEBODGCFDP-PRZWFREHSA-N
• XLogP: 3.54
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.60
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide (CID 118590503) is 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide is CC1(S(=O)(=O)NC(=O)c2cnc3ccc(N4C[C@@H](F)C[C@@H]4c4cc(F)ccc4OC4CCOC4)cn23)CC1.

What is the InChIKey of 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is VCJJLEBODGCFDP-PRZWFREHSA-N. The full InChI is InChI=1S/C26H28F2N4O5S/c1-26(7-8-26)38(34,35)30-25(33)22-12-29-24-5-3-18(14-32(22)24)31-13-17(28)11-21(31)20-10-16(27)2-4-23(20)37-19-6-9-36-15-19/h2-5,10,12,14,17,19,21H,6-9,11,13,15H2,1H3,(H,30,33)/t17-,19?,21+/m0/s1.

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

6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 546.60 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R,4S)-4-fluoro-2-[5-fluoro-2-(oxolan-3-yloxy)phenyl]pyrrolidin-1-yl]-N-(1-methylcyclopropyl)sulfonylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118590503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).