[4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C18H26N6O2 — CID 95715130

IUPAC[4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCCCc1nc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C18H26N6O2/c1-3-5-15-20-16-13(12-19-22(16)2)17(21-15)23-7-9-24(10-8-23)18(25)14-6-4-11-26-14/h12,14H,3-11H2,1-2H3/t14-/m0/s1
InChIKeyRUOSDPVPGORKTF-AWEZNQCLSA-N
MW358.45 g/mol
LogP1.14
Rot. Bonds4

About [4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 95715130) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is [4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID95715130
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name[4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCCCc1nc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C18H26N6O2/c1-3-5-15-20-16-13(12-19-22(16)2)17(21-15)23-7-9-24(10-8-23)18(25)14-6-4-11-26-14/h12,14H,3-11H2,1-2H3/t14-/m0/s1
InChIKeyRUOSDPVPGORKTF-AWEZNQCLSA-N
XLogP1.14
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 86774053
2-[(3S)-1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanamine
CID 95718016
[4-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95785288
1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56890808
[4-(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 71998117
[4-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 128848800
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 94521513
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95243006
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 39782177
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39782178
4-[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-1-methyl-6-propylpyrazolo[5,4-d]pyrimidine
CID 95871874

Frequently Asked Questions

What is the IUPAC name of [4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 95715130) is [4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is CCCc1nc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c2cnn(C)c2n1.
What is the InChIKey of [4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is RUOSDPVPGORKTF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-3-5-15-20-16-13(12-19-22(16)2)17(21-15)23-7-9-24(10-8-23)18(25)14-6-4-11-26-14/h12,14H,3-11H2,1-2H3/t14-/m0/s1.
What are the key properties of [4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 358.45 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 95715130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).