5-[6-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidin-4-yl]-3,4-dihydro-2H-2,6-naphthyridin-1-one

C22H18F4N4O — CID 178059679

IUPAC5-[6-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidin-4-yl]-3,4-dihydro-2H-2,6-naphthyridin-1-one
SMILESCc1nc(-c2nccc3c2CCNC3=O)cc([C@H](C)c2cc(F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C22H18F4N4O/c1-11(13-7-14(22(24,25)26)9-15(23)8-13)18-10-19(30-12(2)29-18)20-16-3-6-28-21(31)17(16)4-5-27-20/h4-5,7-11H,3,6H2,1-2H3,(H,28,31)/t11-/m1/s1
InChIKeyZIVUBFIMPACSPD-LLVKDONJSA-N
MW430.41 g/mol
LogP4.44
Rot. Bonds3

About 5-[6-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidin-4-yl]-3,4-dihydro-2H-2,6-naphthyridin-1-one

5-[6-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidin-4-yl]-3,4-dihydro-2H-2,6-naphthyridin-1-one (PubChem CID 178059679) has the molecular formula C22H18F4N4O and a molecular weight of 430.41 g/mol. Its IUPAC name is 5-[6-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidin-4-yl]-3,4-dihydro-2H-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name5-[6-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidin-4-yl]-3,4-dihydro-2H-2,6-naphthyridin-1-one
PubChem CID178059679
Molecular FormulaC22H18F4N4O
Molecular Weight430.41 g/mol
Exact Mass430.14
IUPAC Name5-[6-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidin-4-yl]-3,4-dihydro-2H-2,6-naphthyridin-1-one
SMILESCc1nc(-c2nccc3c2CCNC3=O)cc([C@H](C)c2cc(F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C22H18F4N4O/c1-11(13-7-14(22(24,25)26)9-15(23)8-13)18-10-19(30-12(2)29-18)20-16-3-6-28-21(31)17(16)4-5-27-20/h4-5,7-11H,3,6H2,1-2H3,(H,28,31)/t11-/m1/s1
InChIKeyZIVUBFIMPACSPD-LLVKDONJSA-N
XLogP4.44
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

acetaldehyde;acetylene;5-chloro-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]pyridine
CID 143474007
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5-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 178059663
4-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrimidine
CID 143532720
2-methyl-4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
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1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 18543066
3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
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2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]ethyl]-4-pyridinyl]-1H-pyrimidin-6-one
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2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 122696780
5-[6-(2-propan-2-ylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
CID 178041618
4-fluoro-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 130116159
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CID 87299284

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidin-4-yl]-3,4-dihydro-2H-2,6-naphthyridin-1-one?
The IUPAC name of 5-[6-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidin-4-yl]-3,4-dihydro-2H-2,6-naphthyridin-1-one (CID 178059679) is 5-[6-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidin-4-yl]-3,4-dihydro-2H-2,6-naphthyridin-1-one.
What is the SMILES notation for 5-[6-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidin-4-yl]-3,4-dihydro-2H-2,6-naphthyridin-1-one?
The canonical SMILES for 5-[6-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidin-4-yl]-3,4-dihydro-2H-2,6-naphthyridin-1-one is Cc1nc(-c2nccc3c2CCNC3=O)cc([C@H](C)c2cc(F)cc(C(F)(F)F)c2)n1.
What is the InChIKey of 5-[6-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidin-4-yl]-3,4-dihydro-2H-2,6-naphthyridin-1-one?
The InChIKey is ZIVUBFIMPACSPD-LLVKDONJSA-N. The full InChI is InChI=1S/C22H18F4N4O/c1-11(13-7-14(22(24,25)26)9-15(23)8-13)18-10-19(30-12(2)29-18)20-16-3-6-28-21(31)17(16)4-5-27-20/h4-5,7-11H,3,6H2,1-2H3,(H,28,31)/t11-/m1/s1.
What are the key properties of 5-[6-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidin-4-yl]-3,4-dihydro-2H-2,6-naphthyridin-1-one?
5-[6-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidin-4-yl]-3,4-dihydro-2H-2,6-naphthyridin-1-one has a molecular weight of 430.41 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidin-4-yl]-3,4-dihydro-2H-2,6-naphthyridin-1-one is sourced from PubChem (CID 178059679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).