8-cyclopentyl-6-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

C15H19N3O3S — CID 11370665

IUPAC8-cyclopentyl-6-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cc2cnc(S(C)(=O)=O)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C15H19N3O3S/c1-3-10-8-11-9-16-15(22(2,20)21)17-13(11)18(14(10)19)12-6-4-5-7-12/h8-9,12H,3-7H2,1-2H3
InChIKeyBRRYWZUPSRUWSW-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.87
Rot. Bonds3

About 8-cyclopentyl-6-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 11370665) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 8-cyclopentyl-6-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID11370665
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name8-cyclopentyl-6-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCCc1cc2cnc(S(C)(=O)=O)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C15H19N3O3S/c1-3-10-8-11-9-16-15(22(2,20)21)17-13(11)18(14(10)19)12-6-4-5-7-12/h8-9,12H,3-7H2,1-2H3
InChIKeyBRRYWZUPSRUWSW-UHFFFAOYSA-N
XLogP1.87
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 11370665) is 8-cyclopentyl-6-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is CCc1cc2cnc(S(C)(=O)=O)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-6-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BRRYWZUPSRUWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-3-10-8-11-9-16-15(22(2,20)21)17-13(11)18(14(10)19)12-6-4-5-7-12/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 8-cyclopentyl-6-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 321.40 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 11370665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).