[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone

C25H24F3N3O — CID 154667237

IUPAC[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(N3CCc4ncccc4C3)cccc2c1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C25H24F3N3O/c26-25(27,28)20-6-3-12-31(16-20)24(32)18-8-9-21-17(14-18)4-1-7-23(21)30-13-10-22-19(15-30)5-2-11-29-22/h1-2,4-5,7-9,11,14,20H,3,6,10,12-13,15-16H2/t20-/m0/s1
InChIKeyYBQRWZOMTALHNR-FQEVSTJZSA-N
MW439.48 g/mol
LogP5.21
Rot. Bonds2

About [5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone

[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 154667237) has the molecular formula C25H24F3N3O and a molecular weight of 439.48 g/mol. Its IUPAC name is [5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID154667237
Molecular FormulaC25H24F3N3O
Molecular Weight439.48 g/mol
Exact Mass439.19
IUPAC Name[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(N3CCc4ncccc4C3)cccc2c1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C25H24F3N3O/c26-25(27,28)20-6-3-12-31(16-20)24(32)18-8-9-21-17(14-18)4-1-7-23(21)30-13-10-22-19(15-30)5-2-11-29-22/h1-2,4-5,7-9,11,14,20H,3,6,10,12-13,15-16H2/t20-/m0/s1
InChIKeyYBQRWZOMTALHNR-FQEVSTJZSA-N
XLogP5.21
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.48
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 154667237) is [5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1ccc2c(N3CCc4ncccc4C3)cccc2c1)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of [5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is YBQRWZOMTALHNR-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H24F3N3O/c26-25(27,28)20-6-3-12-31(16-20)24(32)18-8-9-21-17(14-18)4-1-7-23(21)30-13-10-22-19(15-30)5-2-11-29-22/h1-2,4-5,7-9,11,14,20H,3,6,10,12-13,15-16H2/t20-/m0/s1.
What are the key properties of [5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
[5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 439.48 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)naphthalen-2-yl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 154667237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).