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

C22H22N6 — CID 991140

IUPAC4-(4-benzylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(CN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C22H22N6/c1-3-7-18(8-4-1)16-26-11-13-27(14-12-26)21-20-15-25-28(22(20)24-17-23-21)19-9-5-2-6-10-19/h1-10,15,17H,11-14,16H2
InChIKeyCMXRLJBAEHOOAC-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.14
Rot. Bonds4

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

4-(4-benzylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 991140) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID991140
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name4-(4-benzylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESc1ccc(CN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C22H22N6/c1-3-7-18(8-4-1)16-26-11-13-27(14-12-26)21-20-15-25-28(22(20)24-17-23-21)19-9-5-2-6-10-19/h1-10,15,17H,11-14,16H2
InChIKeyCMXRLJBAEHOOAC-UHFFFAOYSA-N
XLogP3.14
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine (CID 991140) is 4-(4-benzylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine is c1ccc(CN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is CMXRLJBAEHOOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6/c1-3-7-18(8-4-1)16-26-11-13-27(14-12-26)21-20-15-25-28(22(20)24-17-23-21)19-9-5-2-6-10-19/h1-10,15,17H,11-14,16H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine?
4-(4-benzylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 370.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 991140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).