N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H20ClN7 — CID 26745607

IUPACN-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN1CCN(c2nc(Nc3ccc(Cl)cc3)c3cnn(C)c3n2)CC1
InChIInChI=1S/C17H20ClN7/c1-23-7-9-25(10-8-23)17-21-15(14-11-19-24(2)16(14)22-17)20-13-5-3-12(18)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,20,21,22)
InChIKeyVIJUXAMFDQXDIE-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.51
Rot. Bonds3

About N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine

N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 26745607) has the molecular formula C17H20ClN7 and a molecular weight of 357.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID26745607
Molecular FormulaC17H20ClN7
Molecular Weight357.85 g/mol
Exact Mass357.15
IUPAC NameN-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCN1CCN(c2nc(Nc3ccc(Cl)cc3)c3cnn(C)c3n2)CC1
InChIInChI=1S/C17H20ClN7/c1-23-7-9-25(10-8-23)17-21-15(14-11-19-24(2)16(14)22-17)20-13-5-3-12(18)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,20,21,22)
InChIKeyVIJUXAMFDQXDIE-UHFFFAOYSA-N
XLogP2.51
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 26745607) is N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CN1CCN(c2nc(Nc3ccc(Cl)cc3)c3cnn(C)c3n2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is VIJUXAMFDQXDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7/c1-23-7-9-25(10-8-23)17-21-15(14-11-19-24(2)16(14)22-17)20-13-5-3-12(18)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,20,21,22).
What are the key properties of N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 357.85 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 26745607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).