5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one

C22H25N5O5S — CID 66959740

IUPAC5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H25N5O5S/c1-26-13-23-17-12-16(25-21(20(17)22(26)28)24-15-4-5-15)14-3-6-18(31-2)19(11-14)33(29,30)27-7-9-32-10-8-27/h3,6,11-13,15H,4-5,7-10H2,1-2H3,(H,24,25)
InChIKeyKJKZXELFVYKZEH-UHFFFAOYSA-N
MW471.54 g/mol
LogP1.60
Rot. Bonds6

About 5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one

5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959740) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is 5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959740
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC Name5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H25N5O5S/c1-26-13-23-17-12-16(25-21(20(17)22(26)28)24-15-4-5-15)14-3-6-18(31-2)19(11-14)33(29,30)27-7-9-32-10-8-27/h3,6,11-13,15H,4-5,7-10H2,1-2H3,(H,24,25)
InChIKeyKJKZXELFVYKZEH-UHFFFAOYSA-N
XLogP1.60
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

7-(4-methoxy-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50923838
5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959853
5-(cyclopropylamino)-3-methyl-7-[4-[2-(4-methylpiperazin-1-yl)ethylamino]-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50923268
5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959207
5-(2-methoxyethylamino)-3-methyl-7-[4-[(1-methylpiperidin-4-yl)amino]-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66958766
7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959326
7-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methylsulfonylphenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 66959387
3-methyl-5-(methylamino)-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 123985024
5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66958881
7-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-3-methyl-5-[[(3R)-oxolan-3-yl]amino]pyrido[4,3-d]pyrimidin-4-one
CID 66958997
7-(3-chloro-4-methoxyphenyl)-3-methyl-5-(pyridin-4-ylmethylamino)pyrido[4,3-d]pyrimidin-4-one
CID 58092902
5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 58092930

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959740) is 5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one is COc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KJKZXELFVYKZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-26-13-23-17-12-16(25-21(20(17)22(26)28)24-15-4-5-15)14-3-6-18(31-2)19(11-14)33(29,30)27-7-9-32-10-8-27/h3,6,11-13,15H,4-5,7-10H2,1-2H3,(H,24,25).
What are the key properties of 5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 471.54 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).