2,7-diphenyl-3-prop-2-ynyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one

C23H14F3N3O — CID 53375930

IUPAC2,7-diphenyl-3-prop-2-ynyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
SMILESC#CCn1c(-c2ccccc2)nc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1=O
InChIInChI=1S/C23H14F3N3O/c1-2-13-29-21(16-11-7-4-8-12-16)28-20-19(22(29)30)17(23(24,25)26)14-18(27-20)15-9-5-3-6-10-15/h1,3-12,14H,13H2
InChIKeyFUZGZYXUVCUQPN-UHFFFAOYSA-N
MW405.38 g/mol
LogP4.78
Rot. Bonds3

About 2,7-diphenyl-3-prop-2-ynyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one

2,7-diphenyl-3-prop-2-ynyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 53375930) has the molecular formula C23H14F3N3O and a molecular weight of 405.38 g/mol. Its IUPAC name is 2,7-diphenyl-3-prop-2-ynyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,7-diphenyl-3-prop-2-ynyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID53375930
Molecular FormulaC23H14F3N3O
Molecular Weight405.38 g/mol
Exact Mass405.11
IUPAC Name2,7-diphenyl-3-prop-2-ynyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
SMILESC#CCn1c(-c2ccccc2)nc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1=O
InChIInChI=1S/C23H14F3N3O/c1-2-13-29-21(16-11-7-4-8-12-16)28-20-19(22(29)30)17(23(24,25)26)14-18(27-20)15-9-5-3-6-10-15/h1,3-12,14H,13H2
InChIKeyFUZGZYXUVCUQPN-UHFFFAOYSA-N
XLogP4.78
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 25096279
7-(4-Methylphenyl)-1-propyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
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7-Phenyl-5-trifluoromethylpyrido[2,3-d]pyrimidine-2,4-dione
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CID 16029324
3-[(2-Fluorophenyl)methyl]-3H,4H,6H,7H,8H,9H-pyrimido[4,5-B]quinolin-4-one
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N-cyclohexyl-7-methyl-1-phenethyl-1,8-naphthyridin-4(1H)-on-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2,7-diphenyl-3-prop-2-ynyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2,7-diphenyl-3-prop-2-ynyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one (CID 53375930) is 2,7-diphenyl-3-prop-2-ynyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,7-diphenyl-3-prop-2-ynyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2,7-diphenyl-3-prop-2-ynyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one is C#CCn1c(-c2ccccc2)nc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1=O.
What is the InChIKey of 2,7-diphenyl-3-prop-2-ynyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is FUZGZYXUVCUQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3O/c1-2-13-29-21(16-11-7-4-8-12-16)28-20-19(22(29)30)17(23(24,25)26)14-18(27-20)15-9-5-3-6-10-15/h1,3-12,14H,13H2.
What are the key properties of 2,7-diphenyl-3-prop-2-ynyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one?
2,7-diphenyl-3-prop-2-ynyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 405.38 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diphenyl-3-prop-2-ynyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 53375930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).