1-phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C34H30N6 — CID 3011472

IUPAC1-phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-c2ccc(C(c3ccccc3)N3CCN(c4ncnc5c4cnn5-c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C34H30N6/c1-4-10-26(11-5-1)27-16-18-29(19-17-27)32(28-12-6-2-7-13-28)38-20-22-39(23-21-38)33-31-24-37-40(34(31)36-25-35-33)30-14-8-3-9-15-30/h1-19,24-25,32H,20-23H2
InChIKeyBLWAOIOYJZOAMQ-UHFFFAOYSA-N
MW522.66 g/mol
LogP6.39
Rot. Bonds6

About 1-phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

1-phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 3011472) has the molecular formula C34H30N6 and a molecular weight of 522.66 g/mol. Its IUPAC name is 1-phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID3011472
Molecular FormulaC34H30N6
Molecular Weight522.66 g/mol
Exact Mass522.25
IUPAC Name1-phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-c2ccc(C(c3ccccc3)N3CCN(c4ncnc5c4cnn5-c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C34H30N6/c1-4-10-26(11-5-1)27-16-18-29(19-17-27)32(28-12-6-2-7-13-28)38-20-22-39(23-21-38)33-31-24-37-40(34(31)36-25-35-33)30-14-8-3-9-15-30/h1-19,24-25,32H,20-23H2
InChIKeyBLWAOIOYJZOAMQ-UHFFFAOYSA-N
XLogP6.39
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.66
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 3011472) is 1-phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is c1ccc(-c2ccc(C(c3ccccc3)N3CCN(c4ncnc5c4cnn5-c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 1-phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is BLWAOIOYJZOAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N6/c1-4-10-26(11-5-1)27-16-18-29(19-17-27)32(28-12-6-2-7-13-28)38-20-22-39(23-21-38)33-31-24-37-40(34(31)36-25-35-33)30-14-8-3-9-15-30/h1-19,24-25,32H,20-23H2.
What are the key properties of 1-phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 522.66 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[4-[phenyl-(4-phenylphenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 3011472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).