N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide

C31H25F2N5O5 — CID 46240360

About N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide

N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide (PubChem CID 46240360) has the molecular formula C31H25F2N5O5 and a molecular weight of 585.57 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
• PubChem CID: 46240360
• Molecular Formula: C31H25F2N5O5
• Molecular Weight: 585.57 g/mol
• Exact Mass: 585.18
• IUPAC Name: N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
• SMILES: CC(=O)CCC(=O)Nc1cn2cc(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3F)ccc2n1
• InChI: InChI=1S/C31H25F2N5O5/c1-18-3-11-24(31(42)38(18)22-8-5-20(32)6-9-22)30(41)34-21-7-12-26(25(33)15-21)43-23-10-13-28-35-27(17-37(28)16-23)36-29(40)14-4-19(2)39/h3,5-13,15-17H,4,14H2,1-2H3,(H,34,41)(H,36,40)
• InChIKey: NLLGQFRQIVOONJ-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 123.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.57
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide (CID 46240360) is N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide is CC(=O)CCC(=O)Nc1cn2cc(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3F)ccc2n1.

What is the InChIKey of N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?

The InChIKey is NLLGQFRQIVOONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F2N5O5/c1-18-3-11-24(31(42)38(18)22-8-5-20(32)6-9-22)30(41)34-21-7-12-26(25(33)15-21)43-23-10-13-28-35-27(17-37(28)16-23)36-29(40)14-4-19(2)39/h3,5-13,15-17H,4,14H2,1-2H3,(H,34,41)(H,36,40).

What are the key properties of N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide?

N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 585.57 g/mol, XLogP of 5.42, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[2-(4-oxopentanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 46240360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).