6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

C16H14FN3O3S — CID 52936317

IUPAC6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Cc2ccccc2F)cc2cnc(S(C)(=O)=O)nc21
InChIInChI=1S/C16H14FN3O3S/c1-20-14-12(9-18-16(19-14)24(2,22)23)8-11(15(20)21)7-10-5-3-4-6-13(10)17/h3-6,8-9H,7H2,1-2H3
InChIKeySWBBSOXHDAAIDK-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.46
Rot. Bonds3

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

6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 52936317) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID52936317
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Cc2ccccc2F)cc2cnc(S(C)(=O)=O)nc21
InChIInChI=1S/C16H14FN3O3S/c1-20-14-12(9-18-16(19-14)24(2,22)23)8-11(15(20)21)7-10-5-3-4-6-13(10)17/h3-6,8-9H,7H2,1-2H3
InChIKeySWBBSOXHDAAIDK-UHFFFAOYSA-N
XLogP1.46
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 52936317) is 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Cc2ccccc2F)cc2cnc(S(C)(=O)=O)nc21.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SWBBSOXHDAAIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-20-14-12(9-18-16(19-14)24(2,22)23)8-11(15(20)21)7-10-5-3-4-6-13(10)17/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 347.37 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 52936317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).