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

C20H13F2N3O3S — CID 10136442

IUPAC4,8-bis(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)c1nc(-c2ccccc2F)c2ccc(=O)n(-c3ccccc3F)c2n1
InChIInChI=1S/C20H13F2N3O3S/c1-29(27,28)20-23-18(12-6-2-3-7-14(12)21)13-10-11-17(26)25(19(13)24-20)16-9-5-4-8-15(16)22/h2-11H,1H3
InChIKeyZHOLPTUMGYLDEI-UHFFFAOYSA-N
MW413.41 g/mol
LogP3.13
Rot. Bonds3

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

4,8-bis(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10136442) has the molecular formula C20H13F2N3O3S and a molecular weight of 413.41 g/mol. Its IUPAC name is 4,8-bis(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4,8-bis(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID10136442
Molecular FormulaC20H13F2N3O3S
Molecular Weight413.41 g/mol
Exact Mass413.06
IUPAC Name4,8-bis(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)c1nc(-c2ccccc2F)c2ccc(=O)n(-c3ccccc3F)c2n1
InChIInChI=1S/C20H13F2N3O3S/c1-29(27,28)20-23-18(12-6-2-3-7-14(12)21)13-10-11-17(26)25(19(13)24-20)16-9-5-4-8-15(16)22/h2-11H,1H3
InChIKeyZHOLPTUMGYLDEI-UHFFFAOYSA-N
XLogP3.13
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,8-bis(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4,8-bis(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 10136442) is 4,8-bis(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4,8-bis(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4,8-bis(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is CS(=O)(=O)c1nc(-c2ccccc2F)c2ccc(=O)n(-c3ccccc3F)c2n1.
What is the InChIKey of 4,8-bis(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZHOLPTUMGYLDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O3S/c1-29(27,28)20-23-18(12-6-2-3-7-14(12)21)13-10-11-17(26)25(19(13)24-20)16-9-5-4-8-15(16)22/h2-11H,1H3.
What are the key properties of 4,8-bis(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
4,8-bis(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 413.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis(2-fluorophenyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10136442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).