1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C23H24N6O2 — CID 1385050

IUPAC1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(-n2ncc3c(N4CCN(c5ccccc5OC)CC4)ncnc32)cc1
InChIInChI=1S/C23H24N6O2/c1-30-18-9-7-17(8-10-18)29-23-19(15-26-29)22(24-16-25-23)28-13-11-27(12-14-28)20-5-3-4-6-21(20)31-2/h3-10,15-16H,11-14H2,1-2H3
InChIKeyHXRCCVXGXJOFHE-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.16
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 1385050) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID1385050
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(-n2ncc3c(N4CCN(c5ccccc5OC)CC4)ncnc32)cc1
InChIInChI=1S/C23H24N6O2/c1-30-18-9-7-17(8-10-18)29-23-19(15-26-29)22(24-16-25-23)28-13-11-27(12-14-28)20-5-3-4-6-21(20)31-2/h3-10,15-16H,11-14H2,1-2H3
InChIKeyHXRCCVXGXJOFHE-UHFFFAOYSA-N
XLogP3.16
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]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 1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 1385050) is 1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is COc1ccc(-n2ncc3c(N4CCN(c5ccccc5OC)CC4)ncnc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is HXRCCVXGXJOFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-30-18-9-7-17(8-10-18)29-23-19(15-26-29)22(24-16-25-23)28-13-11-27(12-14-28)20-5-3-4-6-21(20)31-2/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 416.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 1385050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).