2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline

C23H19ClN8 — CID 108776833

IUPAC2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline
SMILESClc1cccc(-n2ncc3c(N4CCN(c5cnc6ccccc6n5)CC4)ncnc32)c1
InChIInChI=1S/C23H19ClN8/c24-16-4-3-5-17(12-16)32-23-18(13-28-32)22(26-15-27-23)31-10-8-30(9-11-31)21-14-25-19-6-1-2-7-20(19)29-21/h1-7,12-15H,8-11H2
InChIKeyVYOHJEOBRFPQGL-UHFFFAOYSA-N
MW442.91 g/mol
LogP3.74
Rot. Bonds3

About 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline

2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline (PubChem CID 108776833) has the molecular formula C23H19ClN8 and a molecular weight of 442.91 g/mol. Its IUPAC name is 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline
PubChem CID108776833
Molecular FormulaC23H19ClN8
Molecular Weight442.91 g/mol
Exact Mass442.14
IUPAC Name2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline
SMILESClc1cccc(-n2ncc3c(N4CCN(c5cnc6ccccc6n5)CC4)ncnc32)c1
InChIInChI=1S/C23H19ClN8/c24-16-4-3-5-17(12-16)32-23-18(13-28-32)22(26-15-27-23)31-10-8-30(9-11-31)21-14-25-19-6-1-2-7-20(19)29-21/h1-7,12-15H,8-11H2
InChIKeyVYOHJEOBRFPQGL-UHFFFAOYSA-N
XLogP3.74
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-(benzenesulfonyl)piperazin-1-yl]-1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidine
CID 108784407
1-(3-chlorophenyl)-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 108784404
1-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 108771341
4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperazine-1-carboxamide
CID 108749515
2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-8-methoxy-4-methylquinoline
CID 108776977
[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 108749460
3-chloro-1-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 108771368
1-(3-chlorophenyl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 41106071
(4-bromophenyl)-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 108749560
[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 108749495
(E)-3-(4-chlorophenyl)-1-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 108771347
(2S,6S)-4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 7205606

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline?
The IUPAC name of 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline (CID 108776833) is 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline is Clc1cccc(-n2ncc3c(N4CCN(c5cnc6ccccc6n5)CC4)ncnc32)c1.
What is the InChIKey of 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline?
The InChIKey is VYOHJEOBRFPQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN8/c24-16-4-3-5-17(12-16)32-23-18(13-28-32)22(26-15-27-23)31-10-8-30(9-11-31)21-14-25-19-6-1-2-7-20(19)29-21/h1-7,12-15H,8-11H2.
What are the key properties of 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline?
2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline has a molecular weight of 442.91 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline is sourced from PubChem (CID 108776833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).