3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide

C17H19N5O2 — CID 18134744

IUPAC3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccccc1
InChIInChI=1S/C17H19N5O2/c1-12(13-6-4-3-5-7-13)20-15(23)8-9-22-11-18-16-14(17(22)24)10-19-21(16)2/h3-7,10-12H,8-9H2,1-2H3,(H,20,23)
InChIKeyBHPWLGQQSHYLFI-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.40
Rot. Bonds5

About 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide

3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide (PubChem CID 18134744) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide
PubChem CID18134744
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccccc1
InChIInChI=1S/C17H19N5O2/c1-12(13-6-4-3-5-7-13)20-15(23)8-9-22-11-18-16-14(17(22)24)10-19-21(16)2/h3-7,10-12H,8-9H2,1-2H3,(H,20,23)
InChIKeyBHPWLGQQSHYLFI-UHFFFAOYSA-N
XLogP1.40
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-phenylpropanamide
CID 17492925
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 7425559
N-[2-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]benzamide
CID 33147932
N-(1,2-diphenylethyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24682393
N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16590379
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 17446665
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 55487296
[1-oxo-1-(1-phenylbutylamino)propan-2-yl] 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 46696942
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide
CID 51202548
1-methyl-5-[2-(methylamino)-2-phenylethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277108
3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 51691496
(2-oxo-1,2-diphenylethyl) 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 46696831

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide (CID 18134744) is 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide is CC(NC(=O)CCn1cnc2c(cnn2C)c1=O)c1ccccc1.
What is the InChIKey of 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is BHPWLGQQSHYLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12(13-6-4-3-5-7-13)20-15(23)8-9-22-11-18-16-14(17(22)24)10-19-21(16)2/h3-7,10-12H,8-9H2,1-2H3,(H,20,23).
What are the key properties of 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide?
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 325.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 18134744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).