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

C22H20N4O4S — CID 135382567

IUPAC6-(4-methoxyphenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc3n(C)c2=O)cc1
InChIInChI=1S/C22H20N4O4S/c1-26-20-15(11-19(21(26)27)14-7-9-17(30-2)10-8-14)13-23-22(25-20)24-16-5-4-6-18(12-16)31(3,28)29/h4-13H,1-3H3,(H,23,24,25)
InChIKeyGTFQUQGCWGESDG-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.15
Rot. Bonds5

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

6-(4-methoxyphenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 135382567) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID135382567
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name6-(4-methoxyphenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc3n(C)c2=O)cc1
InChIInChI=1S/C22H20N4O4S/c1-26-20-15(11-19(21(26)27)14-7-9-17(30-2)10-8-14)13-23-22(25-20)24-16-5-4-6-18(12-16)31(3,28)29/h4-13H,1-3H3,(H,23,24,25)
InChIKeyGTFQUQGCWGESDG-UHFFFAOYSA-N
XLogP3.15
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 135382567) is 6-(4-methoxyphenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3cnc(Nc4cccc(S(C)(=O)=O)c4)nc3n(C)c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GTFQUQGCWGESDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-26-20-15(11-19(21(26)27)14-7-9-17(30-2)10-8-14)13-23-22(25-20)24-16-5-4-6-18(12-16)31(3,28)29/h4-13H,1-3H3,(H,23,24,25).
What are the key properties of 6-(4-methoxyphenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-(4-methoxyphenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 436.49 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 135382567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).