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

C21H17ClN4O3S — CID 135382280

IUPAC6-(4-chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccc(Cl)cc2)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21
InChIInChI=1S/C21H17ClN4O3S/c1-26-19-14(10-18(20(26)27)13-6-8-15(22)9-7-13)12-23-21(25-19)24-16-4-3-5-17(11-16)30(2,28)29/h3-12H,1-2H3,(H,23,24,25)
InChIKeyXIXAMNAQPOFORK-UHFFFAOYSA-N
MW440.91 g/mol
LogP3.80
Rot. Bonds4

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

6-(4-chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 135382280) has the molecular formula C21H17ClN4O3S and a molecular weight of 440.91 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID135382280
Molecular FormulaC21H17ClN4O3S
Molecular Weight440.91 g/mol
Exact Mass440.07
IUPAC Name6-(4-chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccc(Cl)cc2)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21
InChIInChI=1S/C21H17ClN4O3S/c1-26-19-14(10-18(20(26)27)13-6-8-15(22)9-7-13)12-23-21(25-19)24-16-4-3-5-17(11-16)30(2,28)29/h3-12H,1-2H3,(H,23,24,25)
InChIKeyXIXAMNAQPOFORK-UHFFFAOYSA-N
XLogP3.80
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 135382280) is 6-(4-chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2ccc(Cl)cc2)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21.
What is the InChIKey of 6-(4-chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XIXAMNAQPOFORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3S/c1-26-19-14(10-18(20(26)27)13-6-8-15(22)9-7-13)12-23-21(25-19)24-16-4-3-5-17(11-16)30(2,28)29/h3-12H,1-2H3,(H,23,24,25).
What are the key properties of 6-(4-chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-(4-chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 440.91 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 135382280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).