8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one

C15H12F3N3O — CID 57368519

IUPAC8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one
SMILESO=c1nc2c(c(C(F)(F)F)[nH]1)CNCC2=Cc1ccccc1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)13-11-8-19-7-10(12(11)20-14(22)21-13)6-9-4-2-1-3-5-9/h1-6,19H,7-8H2,(H,20,21,22)
InChIKeyLZHRVXHXXSFNLV-UHFFFAOYSA-N
MW307.27 g/mol
LogP2.43
Rot. Bonds1

About 8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one

8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one (PubChem CID 57368519) has the molecular formula C15H12F3N3O and a molecular weight of 307.27 g/mol. Its IUPAC name is 8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one
PubChem CID57368519
Molecular FormulaC15H12F3N3O
Molecular Weight307.27 g/mol
Exact Mass307.09
IUPAC Name8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one
SMILESO=c1nc2c(c(C(F)(F)F)[nH]1)CNCC2=Cc1ccccc1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)13-11-8-19-7-10(12(11)20-14(22)21-13)6-9-4-2-1-3-5-9/h1-6,19H,7-8H2,(H,20,21,22)
InChIKeyLZHRVXHXXSFNLV-UHFFFAOYSA-N
XLogP2.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-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

(7E)-7-[(4-fluorophenyl)methylidene]-3-(trifluoromethyl)-2,4,5,6-tetrahydropyrazolo[4,3-c]pyridine
CID 74764244
(8E)-8-[(2,4-dichlorophenyl)methylidene]-4-(trifluoromethyl)-3,5,6,7-tetrahydroquinazolin-2-one
CID 15471254
(3E,4Z)-3-benzylidene-4-(methylsulfanylmethylidene)pyrrolidine
CID 101038677
ethyl 7-benzylidene-3-(trifluoromethyl)-4,6-dihydro-2H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 57361077
(3Z,5Z)-3,5-dibenzylidenepiperidine
CID 5474874
(3Z,5E)-3,5-dibenzylidenepiperidine
CID 54606222
6-hydroxy-4-(trifluoromethyl)-3H-quinazolin-2-one
CID 105487475
5-benzylidene-1-hydroxyimidazolidin-2-one
CID 69304075
(7E)-7-benzylidene-3-(trifluoromethyl)-5,6-dihydro-4H-2,1-benzoxazole
CID 12965268
2-benzyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 3305251
2-benzylidenecyclobutan-1-one
CID 73042587
(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
CID 10399128

Frequently Asked Questions

What is the IUPAC name of 8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one (CID 57368519) is 8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one is O=c1nc2c(c(C(F)(F)F)[nH]1)CNCC2=Cc1ccccc1.
What is the InChIKey of 8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one?
The InChIKey is LZHRVXHXXSFNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c16-15(17,18)13-11-8-19-7-10(12(11)20-14(22)21-13)6-9-4-2-1-3-5-9/h1-6,19H,7-8H2,(H,20,21,22).
What are the key properties of 8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one?
8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one has a molecular weight of 307.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzylidene-4-(trifluoromethyl)-3,5,6,7-tetrahydropyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 57368519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).