N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide

C26H23F5N4O4 — CID 175348786

IUPACN-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1cc(F)cc(C)c1-n1cc(C(=O)NC(F)(C(F)F)C2CC2)c(=O)c2cc(F)c(N3C[C@@H](O)CC3=O)nc21
InChIInChI=1S/C26H23F5N4O4/c1-11-5-14(27)6-12(2)20(11)35-10-17(24(39)33-26(31,25(29)30)13-3-4-13)21(38)16-8-18(28)23(32-22(16)35)34-9-15(36)7-19(34)37/h5-6,8,10,13,15,25,36H,3-4,7,9H2,1-2H3,(H,33,39)/t15-,26?/m0/s1
InChIKeyGAXNGVNAOHLXHG-DKJAIQOISA-N
MW550.48 g/mol
LogP3.45
Rot. Bonds6

About N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide

N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 175348786) has the molecular formula C26H23F5N4O4 and a molecular weight of 550.48 g/mol. Its IUPAC name is N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID175348786
Molecular FormulaC26H23F5N4O4
Molecular Weight550.48 g/mol
Exact Mass550.16
IUPAC NameN-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1cc(F)cc(C)c1-n1cc(C(=O)NC(F)(C(F)F)C2CC2)c(=O)c2cc(F)c(N3C[C@@H](O)CC3=O)nc21
InChIInChI=1S/C26H23F5N4O4/c1-11-5-14(27)6-12(2)20(11)35-10-17(24(39)33-26(31,25(29)30)13-3-4-13)21(38)16-8-18(28)23(32-22(16)35)34-9-15(36)7-19(34)37/h5-6,8,10,13,15,25,36H,3-4,7,9H2,1-2H3,(H,33,39)/t15-,26?/m0/s1
InChIKeyGAXNGVNAOHLXHG-DKJAIQOISA-N
XLogP3.45
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 175348800
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 139431736
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 134360113
N-(1,1-difluoro-2-methylpropan-2-yl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134346770
1-(2-chloro-4,6-difluorophenyl)-N-(1,1-difluoro-2-methylpropan-2-yl)-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 156509184
1-(2-chloro-4,6-difluorophenyl)-N-(1,1-difluoro-2-methylpropan-2-yl)-6-fluoro-7-(3-hydroxypyrrolidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 134360106
7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(2,4,6-trifluorophenyl)-N-(2,3,3-trimethylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 134360176
7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-N-(3-methylpentan-3-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134346781
7-(3,4-dihydroxypyrrolidin-1-yl)-6-fluoro-N-(2-methylbutan-2-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134360152
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
7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-(1,1,1,2,2-pentafluoropentan-3-yl)-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 139431794
1-(2-chloro-4,6-difluorophenyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 134360192

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 175348786) is N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide is Cc1cc(F)cc(C)c1-n1cc(C(=O)NC(F)(C(F)F)C2CC2)c(=O)c2cc(F)c(N3C[C@@H](O)CC3=O)nc21.
What is the InChIKey of N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is GAXNGVNAOHLXHG-DKJAIQOISA-N. The full InChI is InChI=1S/C26H23F5N4O4/c1-11-5-14(27)6-12(2)20(11)35-10-17(24(39)33-26(31,25(29)30)13-3-4-13)21(38)16-8-18(28)23(32-22(16)35)34-9-15(36)7-19(34)37/h5-6,8,10,13,15,25,36H,3-4,7,9H2,1-2H3,(H,33,39)/t15-,26?/m0/s1.
What are the key properties of N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 550.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-1,2,2-trifluoroethyl)-6-fluoro-1-(4-fluoro-2,6-dimethylphenyl)-7-[(4S)-4-hydroxy-2-oxopyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 175348786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).