5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one

C21H19F4N3O2 — CID 168887588

IUPAC5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one
SMILESCc1cc2c(-c3ccc(C(F)(F)F)cc3F)nc(N3CCOCC3)cc2c(=O)n1C
InChIInChI=1S/C21H19F4N3O2/c1-12-9-15-16(20(29)27(12)2)11-18(28-5-7-30-8-6-28)26-19(15)14-4-3-13(10-17(14)22)21(23,24)25/h3-4,9-11H,5-8H2,1-2H3
InChIKeyLFBDEZCSVODMES-UHFFFAOYSA-N
MW421.39 g/mol
LogP3.90
Rot. Bonds2

About 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one

5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one (PubChem CID 168887588) has the molecular formula C21H19F4N3O2 and a molecular weight of 421.39 g/mol. Its IUPAC name is 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one
PubChem CID168887588
Molecular FormulaC21H19F4N3O2
Molecular Weight421.39 g/mol
Exact Mass421.14
IUPAC Name5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one
SMILESCc1cc2c(-c3ccc(C(F)(F)F)cc3F)nc(N3CCOCC3)cc2c(=O)n1C
InChIInChI=1S/C21H19F4N3O2/c1-12-9-15-16(20(29)27(12)2)11-18(28-5-7-30-8-6-28)26-19(15)14-4-3-13(10-17(14)22)21(23,24)25/h3-4,9-11H,5-8H2,1-2H3
InChIKeyLFBDEZCSVODMES-UHFFFAOYSA-N
XLogP3.90
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropylpyrazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-(2-methylmorpholin-4-yl)-2,6-naphthyridin-1-one
CID 168887542
7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one
CID 170182317
5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830777
4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one
CID 177138526
8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-6-[(6S)-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[3,4-d]pyrimidin-4-one
CID 170711524
6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
CID 170711699
9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one
CID 177152230
1-(difluoromethyl)pyrazole;4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]morpholine
CID 166122147
11-(4-chloro-2-fluorophenyl)-13-morpholin-4-yl-3,9,12-triazatetracyclo[8.4.0.03,8.04,6]tetradeca-1(14),8,10,12-tetraen-2-one
CID 177152329
4-[2-methyl-7-(trifluoromethyl)quinolin-1-ium-4-yl]morpholine
CID 7730550
4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 155981444
8-acetyl-3-methyl-2-morpholin-4-yl-6-(trifluoromethyl)quinazolin-4-one
CID 170754045

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one?
The IUPAC name of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one (CID 168887588) is 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one.
What is the SMILES notation for 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one?
The canonical SMILES for 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one is Cc1cc2c(-c3ccc(C(F)(F)F)cc3F)nc(N3CCOCC3)cc2c(=O)n1C.
What is the InChIKey of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one?
The InChIKey is LFBDEZCSVODMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O2/c1-12-9-15-16(20(29)27(12)2)11-18(28-5-7-30-8-6-28)26-19(15)14-4-3-13(10-17(14)22)21(23,24)25/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one?
5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one has a molecular weight of 421.39 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-morpholin-4-yl-2,6-naphthyridin-1-one is sourced from PubChem (CID 168887588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).