1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one

C26H26Cl2N6O — CID 135156282

IUPAC1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H26Cl2N6O/c1-2-3-8-22(35)32-13-15-33(16-14-32)25-23-26(30-17-29-25)34(19-11-9-18(27)10-12-19)24(31-23)20-6-4-5-7-21(20)28/h4-7,9-12,17H,2-3,8,13-16H2,1H3
InChIKeyJZANCPLRDOVRED-UHFFFAOYSA-N
MW509.44 g/mol
LogP5.63
Rot. Bonds6

About 1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one

1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one (PubChem CID 135156282) has the molecular formula C26H26Cl2N6O and a molecular weight of 509.44 g/mol. Its IUPAC name is 1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one
PubChem CID135156282
Molecular FormulaC26H26Cl2N6O
Molecular Weight509.44 g/mol
Exact Mass508.15
IUPAC Name1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H26Cl2N6O/c1-2-3-8-22(35)32-13-15-33(16-14-32)25-23-26(30-17-29-25)34(19-11-9-18(27)10-12-19)24(31-23)20-6-4-5-7-21(20)28/h4-7,9-12,17H,2-3,8,13-16H2,1H3
InChIKeyJZANCPLRDOVRED-UHFFFAOYSA-N
XLogP5.63
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.44
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one (CID 135156282) is 1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one?
The InChIKey is JZANCPLRDOVRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N6O/c1-2-3-8-22(35)32-13-15-33(16-14-32)25-23-26(30-17-29-25)34(19-11-9-18(27)10-12-19)24(31-23)20-6-4-5-7-21(20)28/h4-7,9-12,17H,2-3,8,13-16H2,1H3.
What are the key properties of 1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one?
1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one has a molecular weight of 509.44 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 135156282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).