4-(4-benzhydrylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine

C28H26N6 — CID 1049534

IUPAC4-(4-benzhydrylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(C(c2ccccc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C28H26N6/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23)32-16-18-33(19-17-32)27-25-20-31-34(28(25)30-21-29-27)24-14-8-3-9-15-24/h1-15,20-21,26H,16-19H2
InChIKeyNQBUVYWRXKJRRR-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.73
Rot. Bonds5

About 4-(4-benzhydrylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine

4-(4-benzhydrylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 1049534) has the molecular formula C28H26N6 and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-benzhydrylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID1049534
Molecular FormulaC28H26N6
Molecular Weight446.56 g/mol
Exact Mass446.22
IUPAC Name4-(4-benzhydrylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(C(c2ccccc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C28H26N6/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23)32-16-18-33(19-17-32)27-25-20-31-34(28(25)30-21-29-27)24-14-8-3-9-15-24/h1-15,20-21,26H,16-19H2
InChIKeyNQBUVYWRXKJRRR-UHFFFAOYSA-N
XLogP4.73
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-benzhydrylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine (CID 1049534) is 4-(4-benzhydrylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-benzhydrylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-benzhydrylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine is c1ccc(C(c2ccccc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzhydrylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is NQBUVYWRXKJRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23)32-16-18-33(19-17-32)27-25-20-31-34(28(25)30-21-29-27)24-14-8-3-9-15-24/h1-15,20-21,26H,16-19H2.
What are the key properties of 4-(4-benzhydrylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine?
4-(4-benzhydrylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 446.56 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 1049534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).