6-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline

C15H10N4S — CID 18999857

IUPAC6-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline
SMILESc1ccc(Sc2cnc3cc4[nH]ncc4cc3n2)cc1
InChIInChI=1S/C15H10N4S/c1-2-4-11(5-3-1)20-15-9-16-13-7-12-10(8-17-19-12)6-14(13)18-15/h1-9H,(H,17,19)
InChIKeyAWLPFPMOQQMUJC-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.66
Rot. Bonds2

About 6-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline

6-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline (PubChem CID 18999857) has the molecular formula C15H10N4S and a molecular weight of 278.34 g/mol. Its IUPAC name is 6-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline.

Molecular Properties

Compound Name6-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline
PubChem CID18999857
Molecular FormulaC15H10N4S
Molecular Weight278.34 g/mol
Exact Mass278.06
IUPAC Name6-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline
SMILESc1ccc(Sc2cnc3cc4[nH]ncc4cc3n2)cc1
InChIInChI=1S/C15H10N4S/c1-2-4-11(5-3-1)20-15-9-16-13-7-12-10(8-17-19-12)6-14(13)18-15/h1-9H,(H,17,19)
InChIKeyAWLPFPMOQQMUJC-UHFFFAOYSA-N
XLogP3.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-diethyl-1H-pyrazolo[3,4-g]quinoxaline
CID 49844005
5-Phenyl-2,8,12,13-tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),2,7,10,13,15-hexaene
CID 49844006
6,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]phenazine
CID 49844003
2,8,12,13-Tetrazatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),2,7,10,13,15-hexaene
CID 49844004
3H-pyrazolo[4,5-a]phenanthridin-5-amine
CID 118711122
8-fluoro-3H-pyrazolo[4,5-a]phenanthridin-5-amine
CID 118711125
1h-Pyrazolo[3,4-g]quinoxaline
CID 18999829
7H-pyrazolo[4,3-f]quinoxaline
CID 45121540
7-(3-fluorophenyl)-1H-pyrazolo[4,3-g]quinoxaline
CID 18999821
6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-g]quinoxaline
CID 18999850
7-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-g]quinoxaline
CID 18999893
6-(3-fluorophenyl)-1H-pyrazolo[3,4-g]quinoxaline
CID 18999913

Frequently Asked Questions

What is the IUPAC name of 6-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline?
The IUPAC name of 6-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline (CID 18999857) is 6-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline.
What is the SMILES notation for 6-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline?
The canonical SMILES for 6-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline is c1ccc(Sc2cnc3cc4[nH]ncc4cc3n2)cc1.
What is the InChIKey of 6-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline?
The InChIKey is AWLPFPMOQQMUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S/c1-2-4-11(5-3-1)20-15-9-16-13-7-12-10(8-17-19-12)6-14(13)18-15/h1-9H,(H,17,19).
What are the key properties of 6-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline?
6-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline has a molecular weight of 278.34 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylsulfanyl-1H-pyrazolo[3,4-g]quinoxaline is sourced from PubChem (CID 18999857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).