4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one

C23H18F4N4O — CID 59639602

IUPAC4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(NCC(F)(F)F)nc2c1ccc(=O)n2-c1ccccc1C
InChIInChI=1S/C23H18F4N4O/c1-13-5-3-4-6-18(13)31-19(32)10-9-17-20(16-8-7-15(24)11-14(16)2)29-22(30-21(17)31)28-12-23(25,26)27/h3-11H,12H2,1-2H3,(H,28,29,30)
InChIKeyLUVMWCYOADQDSI-UHFFFAOYSA-N
MW442.42 g/mol
LogP5.18
Rot. Bonds4

About 4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one

4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59639602) has the molecular formula C23H18F4N4O and a molecular weight of 442.42 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59639602
Molecular FormulaC23H18F4N4O
Molecular Weight442.42 g/mol
Exact Mass442.14
IUPAC Name4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(NCC(F)(F)F)nc2c1ccc(=O)n2-c1ccccc1C
InChIInChI=1S/C23H18F4N4O/c1-13-5-3-4-6-18(13)31-19(32)10-9-17-20(16-8-7-15(24)11-14(16)2)29-22(30-21(17)31)28-12-23(25,26)27/h3-11H,12H2,1-2H3,(H,28,29,30)
InChIKeyLUVMWCYOADQDSI-UHFFFAOYSA-N
XLogP5.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one (CID 59639602) is 4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(F)ccc1-c1nc(NCC(F)(F)F)nc2c1ccc(=O)n2-c1ccccc1C.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LUVMWCYOADQDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O/c1-13-5-3-4-6-18(13)31-19(32)10-9-17-20(16-8-7-15(24)11-14(16)2)29-22(30-21(17)31)28-12-23(25,26)27/h3-11H,12H2,1-2H3,(H,28,29,30).
What are the key properties of 4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one?
4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 442.42 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-8-(2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59639602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).