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

C23H24N6O — CID 1387075

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3c2cnn3-c2cccc(C)c2)CC1
InChIInChI=1S/C23H24N6O/c1-17-6-5-7-18(14-17)29-23-19(15-26-29)22(24-16-25-23)28-12-10-27(11-13-28)20-8-3-4-9-21(20)30-2/h3-9,14-16H,10-13H2,1-2H3
InChIKeySWQOBZQTIKRHNX-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.46
Rot. Bonds4

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

4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 1387075) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
PubChem CID1387075
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3c2cnn3-c2cccc(C)c2)CC1
InChIInChI=1S/C23H24N6O/c1-17-6-5-7-18(14-17)29-23-19(15-26-29)22(24-16-25-23)28-12-10-27(11-13-28)20-8-3-4-9-21(20)30-2/h3-9,14-16H,10-13H2,1-2H3
InChIKeySWQOBZQTIKRHNX-UHFFFAOYSA-N
XLogP3.46
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine (CID 1387075) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine is COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2cccc(C)c2)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is SWQOBZQTIKRHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-17-6-5-7-18(14-17)29-23-19(15-26-29)22(24-16-25-23)28-12-10-27(11-13-28)20-8-3-4-9-21(20)30-2/h3-9,14-16H,10-13H2,1-2H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 400.49 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 1387075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).