N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide

C17H19N5O3 — CID 8521152

IUPACN-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCOCCCNC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C17H19N5O3/c1-25-9-5-8-18-15(23)11-21-12-19-16-14(17(21)24)10-20-22(16)13-6-3-2-4-7-13/h2-4,6-7,10,12H,5,8-9,11H2,1H3,(H,18,23)
InChIKeyAPIMJYKJIJKPBY-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.73
Rot. Bonds7

About N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide

N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 8521152) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID8521152
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCOCCCNC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C17H19N5O3/c1-25-9-5-8-18-15(23)11-21-12-19-16-14(17(21)24)10-20-22(16)13-6-3-2-4-7-13/h2-4,6-7,10,12H,5,8-9,11H2,1H3,(H,18,23)
InChIKeyAPIMJYKJIJKPBY-UHFFFAOYSA-N
XLogP0.73
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433640
N-(cyclohexylmethyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7679733
2-[4-oxo-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenoxyethyl)acetamide
CID 24670234
3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide
CID 16882380
5-[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7680054
N-(3-acetylphenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7679719
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433650
N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433592
N-(3-ethoxypropyl)-3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882741
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24644271
2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 16798495
methyl 2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate
CID 20888509

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 8521152) is N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is COCCCNC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is APIMJYKJIJKPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-25-9-5-8-18-15(23)11-21-12-19-16-14(17(21)24)10-20-22(16)13-6-3-2-4-7-13/h2-4,6-7,10,12H,5,8-9,11H2,1H3,(H,18,23).
What are the key properties of N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 8521152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).