2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline

C13H7ClN6 — CID 125484213

IUPAC2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline
SMILESClc1ncnc2c1cnn2-c1cnc2ccccc2n1
InChIInChI=1S/C13H7ClN6/c14-12-8-5-18-20(13(8)17-7-16-12)11-6-15-9-3-1-2-4-10(9)19-11/h1-7H
InChIKeyWMFSUQXUFBWHIX-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.41
Rot. Bonds1

About 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline

2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline (PubChem CID 125484213) has the molecular formula C13H7ClN6 and a molecular weight of 282.69 g/mol. Its IUPAC name is 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline.

Molecular Properties

Compound Name2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline
PubChem CID125484213
Molecular FormulaC13H7ClN6
Molecular Weight282.69 g/mol
Exact Mass282.04
IUPAC Name2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline
SMILESClc1ncnc2c1cnn2-c1cnc2ccccc2n1
InChIInChI=1S/C13H7ClN6/c14-12-8-5-18-20(13(8)17-7-16-12)11-6-15-9-3-1-2-4-10(9)19-11/h1-7H
InChIKeyWMFSUQXUFBWHIX-UHFFFAOYSA-N
XLogP2.41
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 42281587
2-[4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]quinoxaline
CID 108776833
2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline
CID 91324401
4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 11207298
4,5-dichloro-2-quinoxalin-2-ylpyridazin-3-one
CID 2798199
1-bromo-4-chloropyrazolo[5,4-d]pyrimidine
CID 151218537
4-chloro-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-d]pyrimidine
CID 71377348
4-chloro-1-[(Z)-2-phenylethenyl]pyrazolo[5,4-d]pyrimidine
CID 142971941
2-(benzotriazol-1-yl)quinoxaline
CID 11096911
3-methyl-1-quinoxalin-2-ylpyrazolo[5,4-b]pyridin-5-amine
CID 82043942
4-chloro-1-[2-(difluoromethyl)-4-fluorophenyl]pyrazolo[5,4-d]pyrimidine
CID 169121498
4-chloro-1-(4-fluoro-2-methylsulfinylphenyl)pyrazolo[5,4-d]pyrimidine
CID 169121260

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline?
The IUPAC name of 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline (CID 125484213) is 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline.
What is the SMILES notation for 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline?
The canonical SMILES for 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline is Clc1ncnc2c1cnn2-c1cnc2ccccc2n1.
What is the InChIKey of 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline?
The InChIKey is WMFSUQXUFBWHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN6/c14-12-8-5-18-20(13(8)17-7-16-12)11-6-15-9-3-1-2-4-10(9)19-11/h1-7H.
What are the key properties of 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline?
2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline has a molecular weight of 282.69 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)quinoxaline is sourced from PubChem (CID 125484213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).