(3S)-1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C25H21FN4O2 — CID 122284475

About (3S)-1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 122284475) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 122284475
• Molecular Formula: C25H21FN4O2
• Molecular Weight: 428.47 g/mol
• Exact Mass: 428.16
• IUPAC Name: (3S)-1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CC(=O)N(c5ccc(F)cc5)C4)cc3)nc12
• InChI: InChI=1S/C25H21FN4O2/c1-16-3-2-12-29-15-22(28-24(16)29)17-4-8-20(9-5-17)27-25(32)18-13-23(31)30(14-18)21-10-6-19(26)7-11-21/h2-12,15,18H,13-14H2,1H3,(H,27,32)/t18-/m0/s1
• InChIKey: YDNOYCIRIRWGHN-SFHVURJKSA-N
• XLogP: 4.44
• TPSA: 66.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.47
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of (3S)-1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 122284475) is (3S)-1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for (3S)-1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for (3S)-1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CC(=O)N(c5ccc(F)cc5)C4)cc3)nc12.

What is the InChIKey of (3S)-1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is YDNOYCIRIRWGHN-SFHVURJKSA-N. The full InChI is InChI=1S/C25H21FN4O2/c1-16-3-2-12-29-15-22(28-24(16)29)17-4-8-20(9-5-17)27-25(32)18-13-23(31)30(14-18)21-10-6-19(26)7-11-21/h2-12,15,18H,13-14H2,1H3,(H,27,32)/t18-/m0/s1.

What are the key properties of (3S)-1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?

(3S)-1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122284475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).