6-thiophen-2-yl-1H-pyrazolo[3,4-g]quinoxaline

C13H8N4S — CID 18999799

IUPAC6-thiophen-2-yl-1H-pyrazolo[3,4-g]quinoxaline
SMILESc1csc(-c2cnc3cc4[nH]ncc4cc3n2)c1
InChIInChI=1S/C13H8N4S/c1-2-13(18-3-1)12-7-14-10-5-9-8(6-15-17-9)4-11(10)16-12/h1-7H,(H,15,17)
InChIKeyOMVFVDRZIBSIDQ-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.23
Rot. Bonds1

About 6-thiophen-2-yl-1H-pyrazolo[3,4-g]quinoxaline

6-thiophen-2-yl-1H-pyrazolo[3,4-g]quinoxaline (PubChem CID 18999799) has the molecular formula C13H8N4S and a molecular weight of 252.30 g/mol. Its IUPAC name is 6-thiophen-2-yl-1H-pyrazolo[3,4-g]quinoxaline.

Molecular Properties

Compound Name6-thiophen-2-yl-1H-pyrazolo[3,4-g]quinoxaline
PubChem CID18999799
Molecular FormulaC13H8N4S
Molecular Weight252.30 g/mol
Exact Mass252.05
IUPAC Name6-thiophen-2-yl-1H-pyrazolo[3,4-g]quinoxaline
SMILESc1csc(-c2cnc3cc4[nH]ncc4cc3n2)c1
InChIInChI=1S/C13H8N4S/c1-2-13(18-3-1)12-7-14-10-5-9-8(6-15-17-9)4-11(10)16-12/h1-7H,(H,15,17)
InChIKeyOMVFVDRZIBSIDQ-UHFFFAOYSA-N
XLogP3.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-(thiophen-2-yl)-1H-pyrazol-4-yl)quinoline
CID 11054978
N-(1-(thiophen-2-ylmethyl)piperidin-3-yl)-1H-indazol-5-amine
CID 44421862
N-(1-(thiophen-3-ylmethyl)piperidin-3-yl)-1H-indazol-5-amine
CID 44421867
6,7-diethyl-1H-pyrazolo[3,4-g]quinoxaline
CID 49844005
[5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)thiophen-3-yl]boronic acid
CID 153521517
1-phenyl-N-[[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137116466
7-thiophen-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 155515605
7-thiophen-2-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 155518902
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
3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine
CID 155543030

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-1H-pyrazolo[3,4-g]quinoxaline?
The IUPAC name of 6-thiophen-2-yl-1H-pyrazolo[3,4-g]quinoxaline (CID 18999799) is 6-thiophen-2-yl-1H-pyrazolo[3,4-g]quinoxaline.
What is the SMILES notation for 6-thiophen-2-yl-1H-pyrazolo[3,4-g]quinoxaline?
The canonical SMILES for 6-thiophen-2-yl-1H-pyrazolo[3,4-g]quinoxaline is c1csc(-c2cnc3cc4[nH]ncc4cc3n2)c1.
What is the InChIKey of 6-thiophen-2-yl-1H-pyrazolo[3,4-g]quinoxaline?
The InChIKey is OMVFVDRZIBSIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4S/c1-2-13(18-3-1)12-7-14-10-5-9-8(6-15-17-9)4-11(10)16-12/h1-7H,(H,15,17).
What are the key properties of 6-thiophen-2-yl-1H-pyrazolo[3,4-g]quinoxaline?
6-thiophen-2-yl-1H-pyrazolo[3,4-g]quinoxaline has a molecular weight of 252.30 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-1H-pyrazolo[3,4-g]quinoxaline is sourced from PubChem (CID 18999799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).