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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Related Compounds

L-745870
CID 5311200
2-(4-Chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779676
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
2-(4-Ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779677
N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
NS13001
CID 44472568
4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 8
CID 5327824
3,4-Bis((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327825
4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 18
CID 5327834
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455

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).