6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one

C28H27F3N4O3 — CID 123168576

IUPAC6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
SMILESO=C(C=Cc1cnc2c(c1)CC1(CCN(C(=O)C(F)(F)F)CC1)C(=O)N2)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C28H27F3N4O3/c29-28(30,31)26(38)35-14-10-27(11-15-35)17-22-16-19(18-32-24(22)33-25(27)37)6-7-23(36)34-12-8-21(9-13-34)20-4-2-1-3-5-20/h1-8,16,18H,9-15,17H2,(H,32,33,37)
InChIKeyHIEYOXBFXFEQKO-UHFFFAOYSA-N
MW524.54 g/mol
LogP4.08
Rot. Bonds3

About 6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one

6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one (PubChem CID 123168576) has the molecular formula C28H27F3N4O3 and a molecular weight of 524.54 g/mol. Its IUPAC name is 6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
PubChem CID123168576
Molecular FormulaC28H27F3N4O3
Molecular Weight524.54 g/mol
Exact Mass524.20
IUPAC Name6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
SMILESO=C(C=Cc1cnc2c(c1)CC1(CCN(C(=O)C(F)(F)F)CC1)C(=O)N2)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C28H27F3N4O3/c29-28(30,31)26(38)35-14-10-27(11-15-35)17-22-16-19(18-32-24(22)33-25(27)37)6-7-23(36)34-12-8-21(9-13-34)20-4-2-1-3-5-20/h1-8,16,18H,9-15,17H2,(H,32,33,37)
InChIKeyHIEYOXBFXFEQKO-UHFFFAOYSA-N
XLogP4.08
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(6-Amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4a,5,6,6a,7,8,9,10,10a,10b-decahydropyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129012341
2-[4-(4-Pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydroisoquinolin-1-one
CID 44582113
3,6-Dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 10066905
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-1'-carboxamide
CID 11526993
rac-1-oxo-2,3-diphenyl-N-(6-(trifluoromethyl)pyridin-3-yl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 44570933
cis-4-(2-Oxo-piperidin-1-yl)-cyclohexanecarboxylic acid [5-(3,5-difluoro-phenyl)-pyridin-2-yl]-amide
CID 46913706
[3,5-Bis(trifluoromethyl)phenyl]-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3232658
(S)-1-oxo-3-phenyl-2-(pyridin-2-yl)-N-(4-(trifluoromethyl)phenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 25195123
6-[(E)-3-oxo-3-(3-pyridin-2-ylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 118710287
6-[(E)-3-oxo-3-(3-phenylazetidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 118710288
2-[3-(4-Pyridin-2-ylpiperazin-1-yl)propyl]-3,4-dihydroisoquinolin-1-one
CID 44582461
1-Methyl-3-benzyl-6-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-2,4-dione
CID 44370820

Frequently Asked Questions

What is the IUPAC name of 6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
The IUPAC name of 6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one (CID 123168576) is 6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one is O=C(C=Cc1cnc2c(c1)CC1(CCN(C(=O)C(F)(F)F)CC1)C(=O)N2)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
The InChIKey is HIEYOXBFXFEQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O3/c29-28(30,31)26(38)35-14-10-27(11-15-35)17-22-16-19(18-32-24(22)33-25(27)37)6-7-23(36)34-12-8-21(9-13-34)20-4-2-1-3-5-20/h1-8,16,18H,9-15,17H2,(H,32,33,37).
What are the key properties of 6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one has a molecular weight of 524.54 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 123168576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).