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

C24H23ClN4O3S — CID 135382297

IUPAC6-(4-chlorophenyl)-8-(2-methylpropyl)-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)Cn1c(=O)c(-c2ccc(Cl)cc2)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21
InChIInChI=1S/C24H23ClN4O3S/c1-15(2)14-29-22-17(11-21(23(29)30)16-7-9-18(25)10-8-16)13-26-24(28-22)27-19-5-4-6-20(12-19)33(3,31)32/h4-13,15H,14H2,1-3H3,(H,26,27,28)
InChIKeyIWKOGJYABSALSF-UHFFFAOYSA-N
MW482.99 g/mol
LogP4.91
Rot. Bonds6

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

6-(4-chlorophenyl)-8-(2-methylpropyl)-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 135382297) has the molecular formula C24H23ClN4O3S and a molecular weight of 482.99 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-8-(2-methylpropyl)-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-8-(2-methylpropyl)-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID135382297
Molecular FormulaC24H23ClN4O3S
Molecular Weight482.99 g/mol
Exact Mass482.12
IUPAC Name6-(4-chlorophenyl)-8-(2-methylpropyl)-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)Cn1c(=O)c(-c2ccc(Cl)cc2)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21
InChIInChI=1S/C24H23ClN4O3S/c1-15(2)14-29-22-17(11-21(23(29)30)16-7-9-18(25)10-8-16)13-26-24(28-22)27-19-5-4-6-20(12-19)33(3,31)32/h4-13,15H,14H2,1-3H3,(H,26,27,28)
InChIKeyIWKOGJYABSALSF-UHFFFAOYSA-N
XLogP4.91
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 54.91
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-(2-methylpropyl)-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-8-(2-methylpropyl)-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 135382297) is 6-(4-chlorophenyl)-8-(2-methylpropyl)-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-8-(2-methylpropyl)-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-8-(2-methylpropyl)-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one is CC(C)Cn1c(=O)c(-c2ccc(Cl)cc2)cc2cnc(Nc3cccc(S(C)(=O)=O)c3)nc21.
What is the InChIKey of 6-(4-chlorophenyl)-8-(2-methylpropyl)-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IWKOGJYABSALSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3S/c1-15(2)14-29-22-17(11-21(23(29)30)16-7-9-18(25)10-8-16)13-26-24(28-22)27-19-5-4-6-20(12-19)33(3,31)32/h4-13,15H,14H2,1-3H3,(H,26,27,28).
What are the key properties of 6-(4-chlorophenyl)-8-(2-methylpropyl)-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-(4-chlorophenyl)-8-(2-methylpropyl)-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 482.99 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-8-(2-methylpropyl)-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 135382297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).