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

C21H15F2N3O3S — CID 10113314

IUPAC4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2-c1ccccc1F
InChIInChI=1S/C21H15F2N3O3S/c1-12-11-13(22)7-8-14(12)19-15-9-10-18(27)26(17-6-4-3-5-16(17)23)20(15)25-21(24-19)30(2,28)29/h3-11H,1-2H3
InChIKeyCQRSXFDESPWVMV-UHFFFAOYSA-N
MW427.43 g/mol
LogP3.44
Rot. Bonds3

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

4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10113314) has the molecular formula C21H15F2N3O3S and a molecular weight of 427.43 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID10113314
Molecular FormulaC21H15F2N3O3S
Molecular Weight427.43 g/mol
Exact Mass427.08
IUPAC Name4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2-c1ccccc1F
InChIInChI=1S/C21H15F2N3O3S/c1-12-11-13(22)7-8-14(12)19-15-9-10-18(27)26(17-6-4-3-5-16(17)23)20(15)25-21(24-19)30(2,28)29/h3-11H,1-2H3
InChIKeyCQRSXFDESPWVMV-UHFFFAOYSA-N
XLogP3.44
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 10113314) is 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is Cc1cc(F)ccc1-c1nc(S(C)(=O)=O)nc2c1ccc(=O)n2-c1ccccc1F.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CQRSXFDESPWVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O3S/c1-12-11-13(22)7-8-14(12)19-15-9-10-18(27)26(17-6-4-3-5-16(17)23)20(15)25-21(24-19)30(2,28)29/h3-11H,1-2H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 427.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10113314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).