1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

C23H24N6 — CID 661231

IUPAC1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)c(C)c1
InChIInChI=1S/C23H24N6/c1-17-8-9-21(18(2)14-17)29-23-20(15-26-29)22(24-16-25-23)28-12-10-27(11-13-28)19-6-4-3-5-7-19/h3-9,14-16H,10-13H2,1-2H3
InChIKeyNWPIQOOLXJHLKP-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.76
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 661231) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID661231
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)c(C)c1
InChIInChI=1S/C23H24N6/c1-17-8-9-21(18(2)14-17)29-23-20(15-26-29)22(24-16-25-23)28-12-10-27(11-13-28)19-6-4-3-5-7-19/h3-9,14-16H,10-13H2,1-2H3
InChIKeyNWPIQOOLXJHLKP-UHFFFAOYSA-N
XLogP3.76
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 661231) is 1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is Cc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is NWPIQOOLXJHLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-17-8-9-21(18(2)14-17)29-23-20(15-26-29)22(24-16-25-23)28-12-10-27(11-13-28)19-6-4-3-5-7-19/h3-9,14-16H,10-13H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 384.49 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 661231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).