6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

C15H12ClN3O3S — CID 135382290

IUPAC6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccc(Cl)cc2)cc2cnc(S(C)(=O)=O)nc21
InChIInChI=1S/C15H12ClN3O3S/c1-19-13-10(8-17-15(18-13)23(2,21)22)7-12(14(19)20)9-3-5-11(16)6-4-9/h3-8H,1-2H3
InChIKeyTWLGRDCGDNJMOF-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.05
Rot. Bonds2

About 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 135382290) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID135382290
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC Name6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccc(Cl)cc2)cc2cnc(S(C)(=O)=O)nc21
InChIInChI=1S/C15H12ClN3O3S/c1-19-13-10(8-17-15(18-13)23(2,21)22)7-12(14(19)20)9-3-5-11(16)6-4-9/h3-8H,1-2H3
InChIKeyTWLGRDCGDNJMOF-UHFFFAOYSA-N
XLogP2.05
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[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

Related Compounds

6-(4-methoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 135382571
6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 10596157
6-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 158854556
6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 169188378
(3S)-3-amino-2-methylbutan-2-ol;6-(2-chlorophenyl)-2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;methane
CID 159279031
N-[4-chloro-3-(8-methyl-2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 69287105
2-amino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354765
4-(8-methyl-2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4,7-diazaspiro[2.5]octane-7-carboxylic acid
CID 170162748
6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 135381980
6-(2-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-methyl-2-(oxolan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;N-methyloxolan-2-amine;bis(oxolan-2-amine)
CID 158256640
6-(2-chlorophenyl)-8-methyl-2-(3-methylsulfonylbutan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162314511
potassium;acetonitrile;2-chloro-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-1H-pyrido[2,3-d]pyrimidine-2,7-dione;phosphoryl trichloride;hydroxide
CID 160541123

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 135382290) is 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2ccc(Cl)cc2)cc2cnc(S(C)(=O)=O)nc21.
What is the InChIKey of 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is TWLGRDCGDNJMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c1-19-13-10(8-17-15(18-13)23(2,21)22)7-12(14(19)20)9-3-5-11(16)6-4-9/h3-8H,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 349.80 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 135382290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).