2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride

C18H31ClN8O — CID 146059668

IUPAC2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride
SMILESCCN1CCN(c2nc(N3CCN(CCO)CC3)nc3c2cnn3C)CC1.Cl
InChIInChI=1S/C18H30N8O.ClH/c1-3-23-4-8-25(9-5-23)17-15-14-19-22(2)16(15)20-18(21-17)26-10-6-24(7-11-26)12-13-27;/h14,27H,3-13H2,1-2H3;1H
InChIKeyVKAACJXLEVSWSH-UHFFFAOYSA-N
MW410.95 g/mol
LogP0.04
Rot. Bonds5

About 2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride

2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride (PubChem CID 146059668) has the molecular formula C18H31ClN8O and a molecular weight of 410.95 g/mol. Its IUPAC name is 2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride
PubChem CID146059668
Molecular FormulaC18H31ClN8O
Molecular Weight410.95 g/mol
Exact Mass410.23
IUPAC Name2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride
SMILESCCN1CCN(c2nc(N3CCN(CCO)CC3)nc3c2cnn3C)CC1.Cl
InChIInChI=1S/C18H30N8O.ClH/c1-3-23-4-8-25(9-5-23)17-15-14-19-22(2)16(15)20-18(21-17)26-10-6-24(7-11-26)12-13-27;/h14,27H,3-13H2,1-2H3;1H
InChIKeyVKAACJXLEVSWSH-UHFFFAOYSA-N
XLogP0.04
TPSA76.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride with MolForge

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Related Compounds

4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 53039070
6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride
CID 146059672
1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795404
4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 47292239
2-[4-[1-methyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol
CID 50795417
4-(4-ethylpiperazin-1-yl)-1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 56890443
1-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795352
2-[4-[4-[(2-chlorophenyl)methylamino]-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol
CID 50795107
6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795108
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol
CID 110931563
3-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982781
2-[ethyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol
CID 7216404

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride (CID 146059668) is 2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride is CCN1CCN(c2nc(N3CCN(CCO)CC3)nc3c2cnn3C)CC1.Cl.
What is the InChIKey of 2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride?
The InChIKey is VKAACJXLEVSWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N8O.ClH/c1-3-23-4-8-25(9-5-23)17-15-14-19-22(2)16(15)20-18(21-17)26-10-6-24(7-11-26)12-13-27;/h14,27H,3-13H2,1-2H3;1H.
What are the key properties of 2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride?
2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride has a molecular weight of 410.95 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 146059668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).