N-cyclopropyl-5-[(2R,3R)-1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoropyridine-2-carboxamide

C24H25F2N5O3 — CID 176996130

About N-cyclopropyl-5-[(2R,3R)-1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoropyridine-2-carboxamide

N-cyclopropyl-5-[(2R,3R)-1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoropyridine-2-carboxamide (PubChem CID 176996130) has the molecular formula C24H25F2N5O3 and a molecular weight of 469.49 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2R,3R)-1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoropyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-5-[(2R,3R)-1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoropyridine-2-carboxamide
• PubChem CID: 176996130
• Molecular Formula: C24H25F2N5O3
• Molecular Weight: 469.49 g/mol
• Exact Mass: 469.19
• IUPAC Name: N-cyclopropyl-5-[(2R,3R)-1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoropyridine-2-carboxamide
• SMILES: CCc1cc2ncc(CN3C[C@@H](Oc4ccc(C(=O)NC5CC5)nc4F)[C@H]3C)c(F)c2[nH]c1=O
• InChI: InChI=1S/C24H25F2N5O3/c1-3-13-8-17-21(30-23(13)32)20(25)14(9-27-17)10-31-11-19(12(31)2)34-18-7-6-16(29-22(18)26)24(33)28-15-4-5-15/h6-9,12,15,19H,3-5,10-11H2,1-2H3,(H,28,33)(H,30,32)/t12-,19-/m1/s1
• InChIKey: WAJKNHCBZBYUBJ-CWTRNNRKSA-N
• XLogP: 2.70
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.49
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2R,3R)-1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoropyridine-2-carboxamide?

The IUPAC name of N-cyclopropyl-5-[(2R,3R)-1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoropyridine-2-carboxamide (CID 176996130) is N-cyclopropyl-5-[(2R,3R)-1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoropyridine-2-carboxamide.

What is the SMILES notation for N-cyclopropyl-5-[(2R,3R)-1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoropyridine-2-carboxamide?

The canonical SMILES for N-cyclopropyl-5-[(2R,3R)-1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoropyridine-2-carboxamide is CCc1cc2ncc(CN3C[C@@H](Oc4ccc(C(=O)NC5CC5)nc4F)[C@H]3C)c(F)c2[nH]c1=O.

What is the InChIKey of N-cyclopropyl-5-[(2R,3R)-1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoropyridine-2-carboxamide?

The InChIKey is WAJKNHCBZBYUBJ-CWTRNNRKSA-N. The full InChI is InChI=1S/C24H25F2N5O3/c1-3-13-8-17-21(30-23(13)32)20(25)14(9-27-17)10-31-11-19(12(31)2)34-18-7-6-16(29-22(18)26)24(33)28-15-4-5-15/h6-9,12,15,19H,3-5,10-11H2,1-2H3,(H,28,33)(H,30,32)/t12-,19-/m1/s1.

What are the key properties of N-cyclopropyl-5-[(2R,3R)-1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoropyridine-2-carboxamide?

N-cyclopropyl-5-[(2R,3R)-1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoropyridine-2-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-5-[(2R,3R)-1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 176996130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).