5-(cyclopropylamino)-7-[4-(dimethylamino)-3-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C20H23N5O3S — CID 50925330

IUPAC5-(cyclopropylamino)-7-[4-(dimethylamino)-3-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCN(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1S(C)(=O)=O
InChIInChI=1S/C20H23N5O3S/c1-24(2)16-8-5-12(9-17(16)29(4,27)28)14-10-15-18(20(26)25(3)11-21-15)19(23-14)22-13-6-7-13/h5,8-11,13H,6-7H2,1-4H3,(H,22,23)
InChIKeyKLIWJZGJYAMSHH-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.04
Rot. Bonds5

About 5-(cyclopropylamino)-7-[4-(dimethylamino)-3-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-(cyclopropylamino)-7-[4-(dimethylamino)-3-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 50925330) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 5-(cyclopropylamino)-7-[4-(dimethylamino)-3-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-7-[4-(dimethylamino)-3-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID50925330
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name5-(cyclopropylamino)-7-[4-(dimethylamino)-3-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCN(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1S(C)(=O)=O
InChIInChI=1S/C20H23N5O3S/c1-24(2)16-8-5-12(9-17(16)29(4,27)28)14-10-15-18(20(26)25(3)11-21-15)19(23-14)22-13-6-7-13/h5,8-11,13H,6-7H2,1-4H3,(H,22,23)
InChIKeyKLIWJZGJYAMSHH-UHFFFAOYSA-N
XLogP2.04
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-7-[4-(dimethylamino)-3-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-7-[4-(dimethylamino)-3-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 50925330) is 5-(cyclopropylamino)-7-[4-(dimethylamino)-3-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-7-[4-(dimethylamino)-3-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-7-[4-(dimethylamino)-3-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is CN(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1S(C)(=O)=O.
What is the InChIKey of 5-(cyclopropylamino)-7-[4-(dimethylamino)-3-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KLIWJZGJYAMSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-24(2)16-8-5-12(9-17(16)29(4,27)28)14-10-15-18(20(26)25(3)11-21-15)19(23-14)22-13-6-7-13/h5,8-11,13H,6-7H2,1-4H3,(H,22,23).
What are the key properties of 5-(cyclopropylamino)-7-[4-(dimethylamino)-3-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-7-[4-(dimethylamino)-3-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 413.50 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-7-[4-(dimethylamino)-3-methylsulfonylphenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50925330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).