6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one

C17H26N6O2 — CID 35757176

IUPAC6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1c(N2CCN(C(=O)C(C)C)CC2)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C17H26N6O2/c1-6-23-16(25)14-13(12(4)19-20(14)5)18-17(23)22-9-7-21(8-10-22)15(24)11(2)3/h11H,6-10H2,1-5H3
InChIKeyQZNUBPXHFYTEKK-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.76
Rot. Bonds3

About 6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one

6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 35757176) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID35757176
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1c(N2CCN(C(=O)C(C)C)CC2)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C17H26N6O2/c1-6-23-16(25)14-13(12(4)19-20(14)5)18-17(23)22-9-7-21(8-10-22)15(24)11(2)3/h11H,6-10H2,1-5H3
InChIKeyQZNUBPXHFYTEKK-UHFFFAOYSA-N
XLogP0.76
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethyl-1,3-dimethyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one
CID 35757143
4-(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,5-d]pyrimidin-5-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 35757170
5-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-6-ethyl-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757152
5-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-yl]-6-ethyl-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757193
N-butyl-4-(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,5-d]pyrimidin-5-yl)piperazine-1-carboxamide
CID 35757276
1,3-dimethyl-5-[4-(3-phenylpropanoyl)piperazin-1-yl]-6-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757264
1,3-dimethyl-5-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]-6-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757284
5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 35758380
6-ethyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757163
5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757289
1-[4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 35757436
5-[4-(2-fluorobenzoyl)piperazin-1-yl]-1,3-dimethyl-6-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757216

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one (CID 35757176) is 6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one is CCn1c(N2CCN(C(=O)C(C)C)CC2)nc2c(C)nn(C)c2c1=O.
What is the InChIKey of 6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is QZNUBPXHFYTEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-6-23-16(25)14-13(12(4)19-20(14)5)18-17(23)22-9-7-21(8-10-22)15(24)11(2)3/h11H,6-10H2,1-5H3.
What are the key properties of 6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one?
6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 346.44 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazin-1-yl]pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 35757176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).