4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one

C19H20ClN3O3S — CID 10158211

IUPAC4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCC(CC)n1c(=O)ccc2c(-c3ccccc3Cl)nc(S(C)(=O)=O)nc21
InChIInChI=1S/C19H20ClN3O3S/c1-4-12(5-2)23-16(24)11-10-14-17(13-8-6-7-9-15(13)20)21-19(22-18(14)23)27(3,25)26/h6-12H,4-5H2,1-3H3
InChIKeyWOZOUSFCBHRVTO-UHFFFAOYSA-N
MW405.91 g/mol
LogP3.88
Rot. Bonds5

About 4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one

4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10158211) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID10158211
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCC(CC)n1c(=O)ccc2c(-c3ccccc3Cl)nc(S(C)(=O)=O)nc21
InChIInChI=1S/C19H20ClN3O3S/c1-4-12(5-2)23-16(24)11-10-14-17(13-8-6-7-9-15(13)20)21-19(22-18(14)23)27(3,25)26/h6-12H,4-5H2,1-3H3
InChIKeyWOZOUSFCBHRVTO-UHFFFAOYSA-N
XLogP3.88
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 21073276
4-(2-chloroanilino)-6-(2-chlorophenyl)-2-methylsulfonylpyrimidine-5-carbaldehyde
CID 155664577
8-butan-2-yl-4-(2-fluorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 59639609
N-butan-2-yl-1-(2-chlorophenyl)isoquinoline-3-carboxamide
CID 10947695
6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine
CID 87636483
7-[1-(tert-butylamino)pentan-3-yl]-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-1,6-naphthyridin-2-one
CID 22647986
3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole
CID 123288377
1-[6-chloro-8-(2-chlorophenyl)-2-methylpurin-9-yl]propane-1-thiol
CID 174676987
ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate
CID 100785399
3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid
CID 67143292
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-(2,6-dichlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 10596157

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one (CID 10158211) is 4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one is CCC(CC)n1c(=O)ccc2c(-c3ccccc3Cl)nc(S(C)(=O)=O)nc21.
What is the InChIKey of 4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WOZOUSFCBHRVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-4-12(5-2)23-16(24)11-10-14-17(13-8-6-7-9-15(13)20)21-19(22-18(14)23)27(3,25)26/h6-12H,4-5H2,1-3H3.
What are the key properties of 4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one?
4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 405.91 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-methylsulfonyl-8-pentan-3-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10158211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).