N-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide

C19H23N5O2 — CID 78803089

IUPACN-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide
SMILESCCCCNC(=O)COc1ncnc2c1cnn2-c1cc(C)cc(C)c1
InChIInChI=1S/C19H23N5O2/c1-4-5-6-20-17(25)11-26-19-16-10-23-24(18(16)21-12-22-19)15-8-13(2)7-14(3)9-15/h7-10,12H,4-6,11H2,1-3H3,(H,20,25)
InChIKeyCCBHZFUQLMEYGK-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.73
Rot. Bonds7

About N-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide

N-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide (PubChem CID 78803089) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide
PubChem CID78803089
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide
SMILESCCCCNC(=O)COc1ncnc2c1cnn2-c1cc(C)cc(C)c1
InChIInChI=1S/C19H23N5O2/c1-4-5-6-20-17(25)11-26-19-16-10-23-24(18(16)21-12-22-19)15-8-13(2)7-14(3)9-15/h7-10,12H,4-6,11H2,1-3H3,(H,20,25)
InChIKeyCCBHZFUQLMEYGK-UHFFFAOYSA-N
XLogP2.73
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-1-(1-methylpyrrol-2-yl)ethanone
CID 112772211
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
CID 4826927
N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
CID 2122954
N-butyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3704584
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methyl-2-pyridinyl)acetamide
CID 143937639
N-[2-(4-chlorophenyl)ethyl]-2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 55377627
N-propyl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 2469755
N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
CID 2470090
N-butyl-1-(3,5-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 27234925
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide
CID 18561807
N'-[1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]butanehydrazide
CID 18851852

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide (CID 78803089) is N-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide is CCCCNC(=O)COc1ncnc2c1cnn2-c1cc(C)cc(C)c1.
What is the InChIKey of N-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide?
The InChIKey is CCBHZFUQLMEYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-5-6-20-17(25)11-26-19-16-10-23-24(18(16)21-12-22-19)15-8-13(2)7-14(3)9-15/h7-10,12H,4-6,11H2,1-3H3,(H,20,25).
What are the key properties of N-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide?
N-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide has a molecular weight of 353.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 78803089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).