4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-one

C23H23N3O2S — CID 132517484

IUPAC4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-one
SMILESCOc1nc(SC)nc2c1C(=O)CC(c1ccccc1)N2CCc1ccccc1
InChIInChI=1S/C23H23N3O2S/c1-28-22-20-19(27)15-18(17-11-7-4-8-12-17)26(21(20)24-23(25-22)29-2)14-13-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3
InChIKeyQVDCQZJOLPZAGN-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.58
Rot. Bonds6

About 4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-one

4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-one (PubChem CID 132517484) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-one
PubChem CID132517484
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-one
SMILESCOc1nc(SC)nc2c1C(=O)CC(c1ccccc1)N2CCc1ccccc1
InChIInChI=1S/C23H23N3O2S/c1-28-22-20-19(27)15-18(17-11-7-4-8-12-17)26(21(20)24-23(25-22)29-2)14-13-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3
InChIKeyQVDCQZJOLPZAGN-UHFFFAOYSA-N
XLogP4.58
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-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 4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-one (CID 132517484) is 4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-one is COc1nc(SC)nc2c1C(=O)CC(c1ccccc1)N2CCc1ccccc1.
What is the InChIKey of 4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-one?
The InChIKey is QVDCQZJOLPZAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-28-22-20-19(27)15-18(17-11-7-4-8-12-17)26(21(20)24-23(25-22)29-2)14-13-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3.
What are the key properties of 4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-one?
4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-one has a molecular weight of 405.52 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylsulfanyl-7-phenyl-8-(2-phenylethyl)-6,7-dihydropyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 132517484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).