7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C24H21F7N4O5 — CID 134346783

IUPAC7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
SMILESCCC(COC(F)(F)F)NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3C[C@@H](O)[C@@H](O)C3)c(F)cc2c1=O
InChIInChI=1S/C24H21F7N4O5/c1-2-11(9-40-24(29,30)31)32-23(39)13-6-35(19-14(26)3-10(25)4-15(19)27)21-12(20(13)38)5-16(28)22(33-21)34-7-17(36)18(37)8-34/h3-6,11,17-18,36-37H,2,7-9H2,1H3,(H,32,39)/t11?,17-,18+
InChIKeyRUYNWJJANNUICG-DSCFNSEDSA-N
MW578.44 g/mol
LogP2.53
Rot. Bonds7

About 7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 134346783) has the molecular formula C24H21F7N4O5 and a molecular weight of 578.44 g/mol. Its IUPAC name is 7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
PubChem CID134346783
Molecular FormulaC24H21F7N4O5
Molecular Weight578.44 g/mol
Exact Mass578.14
IUPAC Name7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
SMILESCCC(COC(F)(F)F)NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3C[C@@H](O)[C@@H](O)C3)c(F)cc2c1=O
InChIInChI=1S/C24H21F7N4O5/c1-2-11(9-40-24(29,30)31)32-23(39)13-6-35(19-14(26)3-10(25)4-15(19)27)21-12(20(13)38)5-16(28)22(33-21)34-7-17(36)18(37)8-34/h3-6,11,17-18,36-37H,2,7-9H2,1H3,(H,32,39)/t11?,17-,18+
InChIKeyRUYNWJJANNUICG-DSCFNSEDSA-N
XLogP2.53
TPSA116.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.44
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 134346783) is 7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is CCC(COC(F)(F)F)NC(=O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3C[C@@H](O)[C@@H](O)C3)c(F)cc2c1=O.
What is the InChIKey of 7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is RUYNWJJANNUICG-DSCFNSEDSA-N. The full InChI is InChI=1S/C24H21F7N4O5/c1-2-11(9-40-24(29,30)31)32-23(39)13-6-35(19-14(26)3-10(25)4-15(19)27)21-12(20(13)38)5-16(28)22(33-21)34-7-17(36)18(37)8-34/h3-6,11,17-18,36-37H,2,7-9H2,1H3,(H,32,39)/t11?,17-,18+.
What are the key properties of 7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?
7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 578.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[1-(trifluoromethoxy)butan-2-yl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 134346783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).