1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

C22H22N6 — CID 7188740

IUPAC1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)cc1
InChIInChI=1S/C22H22N6/c1-17-7-9-19(10-8-17)28-22-20(15-25-28)21(23-16-24-22)27-13-11-26(12-14-27)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3
InChIKeyQFQARKGPCOJATL-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.45
Rot. Bonds3

About 1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 7188740) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID7188740
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)cc1
InChIInChI=1S/C22H22N6/c1-17-7-9-19(10-8-17)28-22-20(15-25-28)21(23-16-24-22)27-13-11-26(12-14-27)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3
InChIKeyQFQARKGPCOJATL-UHFFFAOYSA-N
XLogP3.45
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 7188740) is 1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is Cc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is QFQARKGPCOJATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6/c1-17-7-9-19(10-8-17)28-22-20(15-25-28)21(23-16-24-22)27-13-11-26(12-14-27)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 370.46 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 7188740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).