1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one

C25H25N5O4S — CID 55377591

IUPAC1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)c4ccc5c(c4)CCCN5S(C)(=O)=O)cnc32)c1
InChIInChI=1S/C25H25N5O4S/c1-16-9-17(2)11-20(10-16)30-24-21(13-27-30)25(32)28(15-26-24)14-23(31)19-6-7-22-18(12-19)5-4-8-29(22)35(3,33)34/h6-7,9-13,15H,4-5,8,14H2,1-3H3
InChIKeyJWPOZVNBRDDIDW-UHFFFAOYSA-N
MW491.57 g/mol
LogP2.79
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 55377591) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID55377591
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC Name1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)c4ccc5c(c4)CCCN5S(C)(=O)=O)cnc32)c1
InChIInChI=1S/C25H25N5O4S/c1-16-9-17(2)11-20(10-16)30-24-21(13-27-30)25(32)28(15-26-24)14-23(31)19-6-7-22-18(12-19)5-4-8-29(22)35(3,33)34/h6-7,9-13,15H,4-5,8,14H2,1-3H3
InChIKeyJWPOZVNBRDDIDW-UHFFFAOYSA-N
XLogP2.79
TPSA107.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(azocan-1-yl)-2-oxoethyl]-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 27893711
1-(3,5-dimethylphenyl)-5-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 24622763
5-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 8747571
5-[2-(4-chlorophenyl)-2-oxoethyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243922
1-(3,5-dimethylphenyl)-5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 51195291
6-[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 8521216
5-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7160468
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30693258
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(methylcarbamoyl)acetamide
CID 30694252
3-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 46691610
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylcyclohexyl)acetamide
CID 46817587
N-[2-(4-chlorophenyl)ethyl]-2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 55377627

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 55377591) is 1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1cc(C)cc(-n2ncc3c(=O)n(CC(=O)c4ccc5c(c4)CCCN5S(C)(=O)=O)cnc32)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JWPOZVNBRDDIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-16-9-17(2)11-20(10-16)30-24-21(13-27-30)25(32)28(15-26-24)14-23(31)19-6-7-22-18(12-19)5-4-8-29(22)35(3,33)34/h6-7,9-13,15H,4-5,8,14H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 491.57 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-5-[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 55377591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).