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

C19H20N6O3 — CID 7679911

IUPACN-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESO=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NC(=O)NC1CCCC1
InChIInChI=1S/C19H20N6O3/c26-16(23-19(28)22-13-6-4-5-7-13)11-24-12-20-17-15(18(24)27)10-21-25(17)14-8-2-1-3-9-14/h1-3,8-10,12-13H,4-7,11H2,(H2,22,23,26,28)
InChIKeyXUHWCTPWCMPUOB-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.35
Rot. Bonds4

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

N-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 7679911) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID7679911
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESO=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NC(=O)NC1CCCC1
InChIInChI=1S/C19H20N6O3/c26-16(23-19(28)22-13-6-4-5-7-13)11-24-12-20-17-15(18(24)27)10-21-25(17)14-8-2-1-3-9-14/h1-3,8-10,12-13H,4-7,11H2,(H2,22,23,26,28)
InChIKeyXUHWCTPWCMPUOB-UHFFFAOYSA-N
XLogP1.35
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S,2S)-2-methylcyclohexyl]-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7544972
N-(cyclohexylmethyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7679733
5-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 40953534
N-cyclopentyl-2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7243801
N-cyclopropyl-2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433574
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7087494
2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 1432829
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate
CID 42031369
2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N,N-di(propan-2-yl)acetamide
CID 7679888
N-(3-methoxypropyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 8521152
N-benzyl-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433640
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7545128

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 7679911) is N-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is XUHWCTPWCMPUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c26-16(23-19(28)22-13-6-4-5-7-13)11-24-12-20-17-15(18(24)27)10-21-25(17)14-8-2-1-3-9-14/h1-3,8-10,12-13H,4-7,11H2,(H2,22,23,26,28).
What are the key properties of N-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 380.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 7679911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).