1-phenyl-4-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C27H25N7 — CID 3011480

IUPAC1-phenyl-4-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(C(c2cccnc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C27H25N7/c1-3-8-21(9-4-1)25(22-10-7-13-28-18-22)32-14-16-33(17-15-32)26-24-19-31-34(27(24)30-20-29-26)23-11-5-2-6-12-23/h1-13,18-20,25H,14-17H2
InChIKeyWOQKQQKRKFQPGK-UHFFFAOYSA-N
MW447.55 g/mol
LogP4.12
Rot. Bonds5

About 1-phenyl-4-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

1-phenyl-4-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 3011480) has the molecular formula C27H25N7 and a molecular weight of 447.55 g/mol. Its IUPAC name is 1-phenyl-4-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-phenyl-4-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID3011480
Molecular FormulaC27H25N7
Molecular Weight447.55 g/mol
Exact Mass447.22
IUPAC Name1-phenyl-4-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(C(c2cccnc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C27H25N7/c1-3-8-21(9-4-1)25(22-10-7-13-28-18-22)32-14-16-33(17-15-32)26-24-19-31-34(27(24)30-20-29-26)23-11-5-2-6-12-23/h1-13,18-20,25H,14-17H2
InChIKeyWOQKQQKRKFQPGK-UHFFFAOYSA-N
XLogP4.12
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-phenyl-4-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 3011480) is 1-phenyl-4-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-phenyl-4-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-phenyl-4-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is c1ccc(C(c2cccnc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is WOQKQQKRKFQPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7/c1-3-8-21(9-4-1)25(22-10-7-13-28-18-22)32-14-16-33(17-15-32)26-24-19-31-34(27(24)30-20-29-26)23-11-5-2-6-12-23/h1-13,18-20,25H,14-17H2.
What are the key properties of 1-phenyl-4-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-phenyl-4-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 447.55 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 3011480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).