5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C20H24N6O2 — CID 16882325

IUPAC5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCN1CCN(C(=O)CCn2cnc3c(cnn3-c3ccccc3)c2=O)CC1
InChIInChI=1S/C20H24N6O2/c1-2-23-10-12-24(13-11-23)18(27)8-9-25-15-21-19-17(20(25)28)14-22-26(19)16-6-4-3-5-7-16/h3-7,14-15H,2,8-13H2,1H3
InChIKeyQVZAVELDEUDOAO-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.14
Rot. Bonds5

About 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 16882325) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID16882325
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCN1CCN(C(=O)CCn2cnc3c(cnn3-c3ccccc3)c2=O)CC1
InChIInChI=1S/C20H24N6O2/c1-2-23-10-12-24(13-11-23)18(27)8-9-25-15-21-19-17(20(25)28)14-22-26(19)16-6-4-3-5-7-16/h3-7,14-15H,2,8-13H2,1H3
InChIKeyQVZAVELDEUDOAO-UHFFFAOYSA-N
XLogP1.14
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylphenyl)-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16883103
5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 16883108
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7087494
1-(4-fluorophenyl)-5-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 16882720
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 16882909
5-(2-aminoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
CID 75366014
N,N-bis(2-methylpropyl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882306
3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-phenylpropyl)propanamide
CID 16882380
1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 35187304
ethyl 1-[3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoyl]piperidine-3-carboxylate
CID 16883096
N-benzyl-3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylpropanamide
CID 16882698
N-(1,2-oxazol-3-yl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882476

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 16882325) is 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is CCN1CCN(C(=O)CCn2cnc3c(cnn3-c3ccccc3)c2=O)CC1.
What is the InChIKey of 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is QVZAVELDEUDOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-2-23-10-12-24(13-11-23)18(27)8-9-25-15-21-19-17(20(25)28)14-22-26(19)16-6-4-3-5-7-16/h3-7,14-15H,2,8-13H2,1H3.
What are the key properties of 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 380.45 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 16882325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).