2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide

C16H17N5O2 — CID 7243904

IUPAC2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cnc2c(cnn2-c2ccc(C)cc2C)c1=O
InChIInChI=1S/C16H17N5O2/c1-10-4-5-13(11(2)6-10)21-15-12(7-19-21)16(23)20(9-18-15)8-14(22)17-3/h4-7,9H,8H2,1-3H3,(H,17,22)
InChIKeyDOPRAKBVHNXNCN-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.95
Rot. Bonds3

About 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide

2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide (PubChem CID 7243904) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide
PubChem CID7243904
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cnc2c(cnn2-c2ccc(C)cc2C)c1=O
InChIInChI=1S/C16H17N5O2/c1-10-4-5-13(11(2)6-10)21-15-12(7-19-21)16(23)20(9-18-15)8-14(22)17-3/h4-7,9H,8H2,1-3H3,(H,17,22)
InChIKeyDOPRAKBVHNXNCN-UHFFFAOYSA-N
XLogP0.95
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 16799494
5-[2-(4-chlorophenyl)-2-oxoethyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243922
2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7243877
1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243885
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30693258
5-[(4-bromophenyl)methyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243915
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(methylcarbamoyl)acetamide
CID 30694252
methyl 5-[[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]furan-2-carboxylate
CID 7532895
1-(2,4-dimethylphenyl)-5-(3-phenylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 71962728
diethyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanedioate
CID 7532902
N-(2-bromophenyl)-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 78793417
N-(2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7243625

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide (CID 7243904) is 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide is CNC(=O)Cn1cnc2c(cnn2-c2ccc(C)cc2C)c1=O.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide?
The InChIKey is DOPRAKBVHNXNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-4-5-13(11(2)6-10)21-15-12(7-19-21)16(23)20(9-18-15)8-14(22)17-3/h4-7,9H,8H2,1-3H3,(H,17,22).
What are the key properties of 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide?
2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide has a molecular weight of 311.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide is sourced from PubChem (CID 7243904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).