8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one

C13H14FN3O2S — CID 11312463

IUPAC8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)c1ncc2cc(F)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C13H14FN3O2S/c1-20(19)13-15-7-8-6-10(14)12(18)17(11(8)16-13)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3
InChIKeyWTZXCGYVFSRQTP-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.78
Rot. Bonds2

About 8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 11312463) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
PubChem CID11312463
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)c1ncc2cc(F)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C13H14FN3O2S/c1-20(19)13-15-7-8-6-10(14)12(18)17(11(8)16-13)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3
InChIKeyWTZXCGYVFSRQTP-UHFFFAOYSA-N
XLogP1.78
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one (CID 11312463) is 8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one is CS(=O)c1ncc2cc(F)c(=O)n(C3CCCC3)c2n1.
What is the InChIKey of 8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WTZXCGYVFSRQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-20(19)13-15-7-8-6-10(14)12(18)17(11(8)16-13)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 295.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-fluoro-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 11312463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).