6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

C16H13ClFN3O3S — CID 23551701

IUPAC6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)c1ncc2cc(-c3ccccc3Cl)c(=O)n(CCF)c2n1
InChIInChI=1S/C16H13ClFN3O3S/c1-25(23,24)16-19-9-10-8-12(11-4-2-3-5-13(11)17)15(22)21(7-6-18)14(10)20-16/h2-5,8-9H,6-7H2,1H3
InChIKeyAUBMTKUZPUPBNL-UHFFFAOYSA-N
MW381.82 g/mol
LogP2.48
Rot. Bonds4

About 6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 23551701) has the molecular formula C16H13ClFN3O3S and a molecular weight of 381.82 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID23551701
Molecular FormulaC16H13ClFN3O3S
Molecular Weight381.82 g/mol
Exact Mass381.04
IUPAC Name6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)c1ncc2cc(-c3ccccc3Cl)c(=O)n(CCF)c2n1
InChIInChI=1S/C16H13ClFN3O3S/c1-25(23,24)16-19-9-10-8-12(11-4-2-3-5-13(11)17)15(22)21(7-6-18)14(10)20-16/h2-5,8-9H,6-7H2,1H3
InChIKeyAUBMTKUZPUPBNL-UHFFFAOYSA-N
XLogP2.48
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 23551701) is 6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is CS(=O)(=O)c1ncc2cc(-c3ccccc3Cl)c(=O)n(CCF)c2n1.
What is the InChIKey of 6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AUBMTKUZPUPBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O3S/c1-25(23,24)16-19-9-10-8-12(11-4-2-3-5-13(11)17)15(22)21(7-6-18)14(10)20-16/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 381.82 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23551701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).