4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine

C17H19ClN6 — CID 67161981

IUPAC4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCN(c3cc(Cl)ccc3C)CC2)c2cn[nH]c2n1
InChIInChI=1S/C17H19ClN6/c1-11-3-4-13(18)9-15(11)23-5-7-24(8-6-23)17-14-10-19-22-16(14)20-12(2)21-17/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,21,22)
InChIKeyPRVDHIXOOBBJFD-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.95
Rot. Bonds2

About 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine

4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 67161981) 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]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID67161981
Molecular FormulaC17H19ClN6
Molecular Weight342.83 g/mol
Exact Mass342.14
IUPAC Name4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCN(c3cc(Cl)ccc3C)CC2)c2cn[nH]c2n1
InChIInChI=1S/C17H19ClN6/c1-11-3-4-13(18)9-15(11)23-5-7-24(8-6-23)17-14-10-19-22-16(14)20-12(2)21-17/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,21,22)
InChIKeyPRVDHIXOOBBJFD-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]-6-methyl-1H-pyrazolo[5,4-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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine (CID 67161981) is 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine is Cc1nc(N2CCN(c3cc(Cl)ccc3C)CC2)c2cn[nH]c2n1.
What is the InChIKey of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is PRVDHIXOOBBJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6/c1-11-3-4-13(18)9-15(11)23-5-7-24(8-6-23)17-14-10-19-22-16(14)20-12(2)21-17/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]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine?
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-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]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 67161981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).