5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one

C20H22N4O3S — CID 50923561

IUPAC5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)S(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1
InChIInChI=1S/C20H22N4O3S/c1-12(2)28(26,27)15-8-4-13(5-9-15)16-10-17-18(20(25)24(3)11-21-17)19(23-16)22-14-6-7-14/h4-5,8-12,14H,6-7H2,1-3H3,(H,22,23)
InChIKeyHRLPJPJKHNXFLW-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.75
Rot. Bonds5

About 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one

5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 50923561) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID50923561
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)S(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1
InChIInChI=1S/C20H22N4O3S/c1-12(2)28(26,27)15-8-4-13(5-9-15)16-10-17-18(20(25)24(3)11-21-17)19(23-16)22-14-6-7-14/h4-5,8-12,14H,6-7H2,1-3H3,(H,22,23)
InChIKeyHRLPJPJKHNXFLW-UHFFFAOYSA-N
XLogP2.75
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

n-Isopropyl-1-[3-(4-methylsulfonylphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 10115569
N-(4-(methylsulfonyl)benzyl)-4-amino-5-cyano-6-(cyclopropylamino)picolinamide
CID 44419216
7-(4-Fluoro-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50923115
5-(Cyclopropylamino)-3-methyl-7-[4-[(1-methylpiperidin-4-yl)amino]-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50923119
5-(2-Methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50923266
3-Methyl-7-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-methylsulfonylphenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50923267
5-(Cyclopropylamino)-3-methyl-7-[4-[2-(4-methylpiperazin-1-yl)ethylamino]-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50923268
7-[4-(4-Ethylpiperazin-1-yl)-3-methylsulfonylphenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50923558
3-Methyl-7-(3-methylsulfonyl-4-pyrrolidin-1-ylphenyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50923563
5-(Cyclopropylamino)-3-methyl-7-(4-methylsulfonyl-3-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 50923698
5-(Cyclopropylamino)-7-[3-(4-ethylpiperazin-1-yl)-4-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50923699
5-(2-Methoxyethylamino)-3-methyl-7-(4-methylsulfonyl-3-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 50923701

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 50923561) is 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one is CC(C)S(=O)(=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1.
What is the InChIKey of 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HRLPJPJKHNXFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-12(2)28(26,27)15-8-4-13(5-9-15)16-10-17-18(20(25)24(3)11-21-17)19(23-16)22-14-6-7-14/h4-5,8-12,14H,6-7H2,1-3H3,(H,22,23).
What are the key properties of 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 398.49 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylsulfonylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50923561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).