2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C20H23N5O3 — CID 7243877

IUPAC2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(-n2ncc3c(=O)n(CC(=O)NC[C@@H]4CCCO4)cnc32)c(C)c1
InChIInChI=1S/C20H23N5O3/c1-13-5-6-17(14(2)8-13)25-19-16(10-23-25)20(27)24(12-22-19)11-18(26)21-9-15-4-3-7-28-15/h5-6,8,10,12,15H,3-4,7,9,11H2,1-2H3,(H,21,26)/t15-/m0/s1
InChIKeyUJCOOFDIWFHPSM-HNNXBMFYSA-N
MW381.44 g/mol
LogP1.49
Rot. Bonds5

About 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 7243877) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID7243877
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(-n2ncc3c(=O)n(CC(=O)NC[C@@H]4CCCO4)cnc32)c(C)c1
InChIInChI=1S/C20H23N5O3/c1-13-5-6-17(14(2)8-13)25-19-16(10-23-25)20(27)24(12-22-19)11-18(26)21-9-15-4-3-7-28-15/h5-6,8,10,12,15H,3-4,7,9,11H2,1-2H3,(H,21,26)/t15-/m0/s1
InChIKeyUJCOOFDIWFHPSM-HNNXBMFYSA-N
XLogP1.49
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7080935
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
1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243885
2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16846564
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41041007
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 939665
2-(3-methyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42109652
methyl 5-[[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]furan-2-carboxylate
CID 7532895
2-[3-(4-bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41105866
N-cyclopentyl-2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7243801
N-(cyclohexylmethyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7679733

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 7243877) is 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC[C@@H]4CCCO4)cnc32)c(C)c1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is UJCOOFDIWFHPSM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-5-6-17(14(2)8-13)25-19-16(10-23-25)20(27)24(12-22-19)11-18(26)21-9-15-4-3-7-28-15/h5-6,8,10,12,15H,3-4,7,9,11H2,1-2H3,(H,21,26)/t15-/m0/s1.
What are the key properties of 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 381.44 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 7243877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).