3-(4-ethynylphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one

C94H57F7N12O6 — CID 159960899

About 3-(4-ethynylphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one

3-(4-ethynylphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 159960899) has the molecular formula C94H57F7N12O6 and a molecular weight of 1583.55 g/mol. Its IUPAC name is 3-(4-ethynylphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-(4-ethynylphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one
• PubChem CID: 159960899
• Molecular Formula: C94H57F7N12O6
• Molecular Weight: 1583.55 g/mol
• Exact Mass: 1582.44
• IUPAC Name: 3-(4-ethynylphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one
• SMILES: C#Cc1ccc(-n2c(/C=C/c3ccc(C(F)(F)F)cc3)nc3ncccc3c2=O)cc1.C#Cc1ccc(-n2c(/C=C/c3ccc(F)cc3)nc3ncccc3c2=O)cc1.C#Cc1ccc(-n2c(/C=C/c3ccc(O)cc3)nc3ncccc3c2=O)cc1.C#Cc1ccc(-n2c(/C=C/c3cccc(OC(F)(F)F)c3)nc3ncccc3c2=O)cc1
• InChI: InChI=1S/C24H14F3N3O2.C24H14F3N3O.C23H14FN3O.C23H15N3O2/c1-2-16-8-11-18(12-9-16)30-21(29-22-20(23(30)31)7-4-14-28-22)13-10-17-5-3-6-19(15-17)32-24(25,26)27;1-2-16-7-12-19(13-8-16)30-21(29-22-20(23(30)31)4-3-15-28-22)14-9-17-5-10-18(11-6-17)24(25,26)27;1-2-16-7-12-19(13-8-16)27-21(14-9-17-5-10-18(24)11-6-17)26-22-20(23(27)28)4-3-15-25-22;1-2-16-5-10-18(11-6-16)26-21(14-9-17-7-12-19(27)13-8-17)25-22-20(23(26)28)4-3-15-24-22/h1,3-15H;1,3-15H;1,3-15H;1,3-15,27H/b13-10+;3*14-9+
• InChIKey: ODHSJRNSPXKUTB-DDJPETNSSA-N
• XLogP: 17.49
• TPSA: 220.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1583.55
LogP ≤ 5	17.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethynylphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one?

The IUPAC name of 3-(4-ethynylphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one (CID 159960899) is 3-(4-ethynylphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 3-(4-ethynylphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one?

The canonical SMILES for 3-(4-ethynylphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one is C#Cc1ccc(-n2c(/C=C/c3ccc(C(F)(F)F)cc3)nc3ncccc3c2=O)cc1.C#Cc1ccc(-n2c(/C=C/c3ccc(F)cc3)nc3ncccc3c2=O)cc1.C#Cc1ccc(-n2c(/C=C/c3ccc(O)cc3)nc3ncccc3c2=O)cc1.C#Cc1ccc(-n2c(/C=C/c3cccc(OC(F)(F)F)c3)nc3ncccc3c2=O)cc1.

What is the InChIKey of 3-(4-ethynylphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one?

The InChIKey is ODHSJRNSPXKUTB-DDJPETNSSA-N. The full InChI is InChI=1S/C24H14F3N3O2.C24H14F3N3O.C23H14FN3O.C23H15N3O2/c1-2-16-8-11-18(12-9-16)30-21(29-22-20(23(30)31)7-4-14-28-22)13-10-17-5-3-6-19(15-17)32-24(25,26)27;1-2-16-7-12-19(13-8-16)30-21(29-22-20(23(30)31)4-3-15-28-22)14-9-17-5-10-18(11-6-17)24(25,26)27;1-2-16-7-12-19(13-8-16)27-21(14-9-17-5-10-18(24)11-6-17)26-22-20(23(27)28)4-3-15-25-22;1-2-16-5-10-18(11-6-16)26-21(14-9-17-7-12-19(27)13-8-17)25-22-20(23(26)28)4-3-15-24-22/h1,3-15H;1,3-15H;1,3-15H;1,3-15,27H/b13-10+;3*14-9+.

What are the key properties of 3-(4-ethynylphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one?

3-(4-ethynylphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 1583.55 g/mol, XLogP of 17.49, 13 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-ethynylphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one;3-(4-ethynylphenyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 159960899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).