1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one

C20H28N6O — CID 70758882

IUPAC1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one
SMILESCn1ncc2c(N3CCN(C4CCCC4)C(=O)C3)nc(C3CCCC3)nc21
InChIInChI=1S/C20H28N6O/c1-24-19-16(12-21-24)20(23-18(22-19)14-6-2-3-7-14)25-10-11-26(17(27)13-25)15-8-4-5-9-15/h12,14-15H,2-11,13H2,1H3
InChIKeyJDJJEUDWFCXPPK-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.61
Rot. Bonds3

About 1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one

1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one (PubChem CID 70758882) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one
PubChem CID70758882
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one
SMILESCn1ncc2c(N3CCN(C4CCCC4)C(=O)C3)nc(C3CCCC3)nc21
InChIInChI=1S/C20H28N6O/c1-24-19-16(12-21-24)20(23-18(22-19)14-6-2-3-7-14)25-10-11-26(17(27)13-25)15-8-4-5-9-15/h12,14-15H,2-11,13H2,1H3
InChIKeyJDJJEUDWFCXPPK-UHFFFAOYSA-N
XLogP2.61
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(9aR)-2-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95717674
1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine
CID 56909758
3-[4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propanamide
CID 56899488
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 154882886
6-cyclopentyl-1-methyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56889372
6-cyclopentyl-N-(2-ethylsulfonylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56902966
(9aS)-2-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 56890769
1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95578448
1,6-dimethyl-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 56816166
(9aR)-2-(1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 95720333
4-(2-ethylpiperidin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 136525360
4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136738167

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one (CID 70758882) is 1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one is Cn1ncc2c(N3CCN(C4CCCC4)C(=O)C3)nc(C3CCCC3)nc21.
What is the InChIKey of 1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one?
The InChIKey is JDJJEUDWFCXPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-24-19-16(12-21-24)20(23-18(22-19)14-6-2-3-7-14)25-10-11-26(17(27)13-25)15-8-4-5-9-15/h12,14-15H,2-11,13H2,1H3.
What are the key properties of 1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one?
1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one has a molecular weight of 368.49 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 70758882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).