7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C19H22N4O4S — CID 50923838

IUPAC7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cc1S(C)(=O)=O
InChIInChI=1S/C19H22N4O4S/c1-11(2)21-18-17-14(20-10-23(3)19(17)24)9-13(22-18)12-6-7-15(27-4)16(8-12)28(5,25)26/h6-11H,1-5H3,(H,21,22)
InChIKeyVTEOQTNLNJHXCG-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.23
Rot. Bonds5

About 7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 50923838) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID50923838
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cc1S(C)(=O)=O
InChIInChI=1S/C19H22N4O4S/c1-11(2)21-18-17-14(20-10-23(3)19(17)24)9-13(22-18)12-6-7-15(27-4)16(8-12)28(5,25)26/h6-11H,1-5H3,(H,21,22)
InChIKeyVTEOQTNLNJHXCG-UHFFFAOYSA-N
XLogP2.23
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(Cyclopropylamino)-3-methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50923117
3-Methyl-5-(propan-2-ylamino)-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50923118
3-Methyl-7-[3-methylsulfonyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50923560
3-Methyl-5-[(5-methylfuran-2-yl)methylamino]-7-(3-methylsulfonyl-4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 50923562
5-(2-Methoxyethylamino)-7-(4-methoxy-3-methylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50923837
7-(4-Methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50924121
N-[(2S)-1-[[7-(3,4-dimethoxyphenyl)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]methanesulfonamide
CID 66958780
5-(Ethylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66958829
3-Methyl-7-[4-(2-morpholin-4-ylethoxy)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959179
5-(Cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66959185
5-(Cyclopropylamino)-7-(4-methoxy-3-methylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959547
5-(Cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959740

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 50923838) is 7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is COc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cc1S(C)(=O)=O.
What is the InChIKey of 7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is VTEOQTNLNJHXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-11(2)21-18-17-14(20-10-23(3)19(17)24)9-13(22-18)12-6-7-15(27-4)16(8-12)28(5,25)26/h6-11H,1-5H3,(H,21,22).
What are the key properties of 7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 402.48 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50923838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).