4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine

C17H19ClN6 — CID 11493905

IUPAC4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1ccc(Cl)cc1N1CCN(c2ncnc3n[nH]c(C)c23)CC1
InChIInChI=1S/C17H19ClN6/c1-11-3-4-13(18)9-14(11)23-5-7-24(8-6-23)17-15-12(2)21-22-16(15)19-10-20-17/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,21,22)
InChIKeyHGNLAXAYDKLPAN-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.95
Rot. Bonds2

About 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine

4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 11493905) has the molecular formula C17H19ClN6 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID11493905
Molecular FormulaC17H19ClN6
Molecular Weight342.83 g/mol
Exact Mass342.14
IUPAC Name4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1ccc(Cl)cc1N1CCN(c2ncnc3n[nH]c(C)c23)CC1
InChIInChI=1S/C17H19ClN6/c1-11-3-4-13(18)9-14(11)23-5-7-24(8-6-23)17-15-12(2)21-22-16(15)19-10-20-17/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,21,22)
InChIKeyHGNLAXAYDKLPAN-UHFFFAOYSA-N
XLogP2.95
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
N7-Butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-A]pyrimidine-2,7-diamine
CID 5287523
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
3-((3-Chlorophenyl)amino)-4-((3-methylphenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327827
3-((4-Aminophenyl)amino)-4-((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327833
4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 18
CID 5327834
3-benzylamino-4-(3-chloro-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327835
4-N-(3-chlorophenyl)-3-N-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 5327836
3-(3-aminophenyl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327844

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine (CID 11493905) is 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine is Cc1ccc(Cl)cc1N1CCN(c2ncnc3n[nH]c(C)c23)CC1.
What is the InChIKey of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is HGNLAXAYDKLPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6/c1-11-3-4-13(18)9-14(11)23-5-7-24(8-6-23)17-15-12(2)21-22-16(15)19-10-20-17/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,21,22).
What are the key properties of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 342.83 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-methyl-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 11493905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).