1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride

C24H28ClN5O — CID 3057684

IUPAC1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride
SMILESCc1nn(C)c2c1c1ccccc1c(=O)n2CCN1CCN(c2ccccc2)CC1.Cl
InChIInChI=1S/C24H27N5O.ClH/c1-18-22-20-10-6-7-11-21(20)24(30)29(23(22)26(2)25-18)17-14-27-12-15-28(16-13-27)19-8-4-3-5-9-19;/h3-11H,12-17H2,1-2H3;1H
InChIKeyKLLNOJZUKPIZBU-UHFFFAOYSA-N
MW437.98 g/mol
LogP3.44
Rot. Bonds4

About 1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride

1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride (PubChem CID 3057684) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol. Its IUPAC name is 1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride
PubChem CID3057684
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC Name1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride
SMILESCc1nn(C)c2c1c1ccccc1c(=O)n2CCN1CCN(c2ccccc2)CC1.Cl
InChIInChI=1S/C24H27N5O.ClH/c1-18-22-20-10-6-7-11-21(20)24(30)29(23(22)26(2)25-18)17-14-27-12-15-28(16-13-27)19-8-4-3-5-9-19;/h3-11H,12-17H2,1-2H3;1H
InChIKeyKLLNOJZUKPIZBU-UHFFFAOYSA-N
XLogP3.44
TPSA46.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride?
The IUPAC name of 1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride (CID 3057684) is 1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride?
The canonical SMILES for 1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride is Cc1nn(C)c2c1c1ccccc1c(=O)n2CCN1CCN(c2ccccc2)CC1.Cl.
What is the InChIKey of 1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride?
The InChIKey is KLLNOJZUKPIZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O.ClH/c1-18-22-20-10-6-7-11-21(20)24(30)29(23(22)26(2)25-18)17-14-27-12-15-28(16-13-27)19-8-4-3-5-9-19;/h3-11H,12-17H2,1-2H3;1H.
What are the key properties of 1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride?
1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride has a molecular weight of 437.98 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride is sourced from PubChem (CID 3057684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).