6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride

C23H33ClN8 — CID 146059672

IUPAC6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride
SMILESCCN1CCN(c2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)CC1.Cl
InChIInChI=1S/C23H32N8.ClH/c1-3-28-9-13-30(14-10-28)22-20-17-24-27(2)21(20)25-23(26-22)31-15-11-29(12-16-31)18-19-7-5-4-6-8-19;/h4-8,17H,3,9-16,18H2,1-2H3;1H
InChIKeyVYTYCIXNWXJXAP-UHFFFAOYSA-N
MW457.03 g/mol
LogP2.25
Rot. Bonds5

About 6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride

6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride (PubChem CID 146059672) has the molecular formula C23H33ClN8 and a molecular weight of 457.03 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride
PubChem CID146059672
Molecular FormulaC23H33ClN8
Molecular Weight457.03 g/mol
Exact Mass456.25
IUPAC Name6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride
SMILESCCN1CCN(c2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)CC1.Cl
InChIInChI=1S/C23H32N8.ClH/c1-3-28-9-13-30(14-10-28)22-20-17-24-27(2)21(20)25-23(26-22)31-15-11-29(12-16-31)18-19-7-5-4-6-8-19;/h4-8,17H,3,9-16,18H2,1-2H3;1H
InChIKeyVYTYCIXNWXJXAP-UHFFFAOYSA-N
XLogP2.25
TPSA56.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.03
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride with MolForge

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Related Compounds

2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride
CID 146059668
4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 53039070
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
4-(4-benzyl-1,4-diazepan-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine
CID 26021234
4-(4-ethylpiperazin-1-yl)-1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 56890443
4-[6-(4-benzylpiperazin-4-ium-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 7216427
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine
CID 56912583
4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 139027454
2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 60726999
6-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795108

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride (CID 146059672) is 6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride is CCN1CCN(c2nc(N3CCN(Cc4ccccc4)CC3)nc3c2cnn3C)CC1.Cl.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride?
The InChIKey is VYTYCIXNWXJXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8.ClH/c1-3-28-9-13-30(14-10-28)22-20-17-24-27(2)21(20)25-23(26-22)31-15-11-29(12-16-31)18-19-7-5-4-6-8-19;/h4-8,17H,3,9-16,18H2,1-2H3;1H.
What are the key properties of 6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride?
6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride has a molecular weight of 457.03 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 146059672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).