1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide

C26H27FN4O4 — CID 69482455

About 1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide

1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide (PubChem CID 69482455) has the molecular formula C26H27FN4O4 and a molecular weight of 478.52 g/mol. Its IUPAC name is 1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide
• PubChem CID: 69482455
• Molecular Formula: C26H27FN4O4
• Molecular Weight: 478.52 g/mol
• Exact Mass: 478.20
• IUPAC Name: 1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide
• SMILES: O=C(NCCCN1CCCC1=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C2CC2)c1=O
• InChI: InChI=1S/C26H27FN4O4/c27-18-6-4-16(5-7-18)13-17-14-20-23(29-15-17)24(33)22(26(35)31(20)19-8-9-19)25(34)28-10-2-12-30-11-1-3-21(30)32/h4-7,14-15,19,33H,1-3,8-13H2,(H,28,34)
• InChIKey: JBQKOQJZKAYHMT-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 104.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.52
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide (CID 69482455) is 1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide is O=C(NCCCN1CCCC1=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(C2CC2)c1=O.

What is the InChIKey of 1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide?

The InChIKey is JBQKOQJZKAYHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O4/c27-18-6-4-16(5-7-18)13-17-14-20-23(29-15-17)24(33)22(26(35)31(20)19-8-9-19)25(34)28-10-2-12-30-11-1-3-21(30)32/h4-7,14-15,19,33H,1-3,8-13H2,(H,28,34).

What are the key properties of 1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide?

1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide has a molecular weight of 478.52 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).