N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C23H17F7N4O3 — CID 139431801

About N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 139431801) has the molecular formula C23H17F7N4O3 and a molecular weight of 530.40 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 139431801
• Molecular Formula: C23H17F7N4O3
• Molecular Weight: 530.40 g/mol
• Exact Mass: 530.12
• IUPAC Name: N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• SMILES: O=C(NC(C1CC1)C(F)(F)F)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CC(O)C3)c(F)cc2c1=O
• InChI: InChI=1S/C23H17F7N4O3/c24-10-3-14(25)17(15(26)4-10)34-8-13(22(37)31-19(9-1-2-9)23(28,29)30)18(36)12-5-16(27)21(32-20(12)34)33-6-11(35)7-33/h3-5,8-9,11,19,35H,1-2,6-7H2,(H,31,37)
• InChIKey: GMYVLEHXKYSXRN-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 87.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.40
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 139431801) is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is O=C(NC(C1CC1)C(F)(F)F)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3CC(O)C3)c(F)cc2c1=O.

What is the InChIKey of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The InChIKey is GMYVLEHXKYSXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F7N4O3/c24-10-3-14(25)17(15(26)4-10)34-8-13(22(37)31-19(9-1-2-9)23(28,29)30)18(36)12-5-16(27)21(32-20(12)34)33-6-11(35)7-33/h3-5,8-9,11,19,35H,1-2,6-7H2,(H,31,37).

What are the key properties of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 530.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 139431801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).