2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline

C16H13N5S — CID 99801217

IUPAC2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1CSc1nccn2ccnc12
InChIInChI=1S/C16H13N5S/c1-11-14(20-13-5-3-2-4-12(13)19-11)10-22-16-15-17-6-8-21(15)9-7-18-16/h2-9H,10H2,1H3
InChIKeySBBLFJNXILSPQY-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.27
Rot. Bonds3

About 2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline

2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline (PubChem CID 99801217) has the molecular formula C16H13N5S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline
PubChem CID99801217
Molecular FormulaC16H13N5S
Molecular Weight307.38 g/mol
Exact Mass307.09
IUPAC Name2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1CSc1nccn2ccnc12
InChIInChI=1S/C16H13N5S/c1-11-14(20-13-5-3-2-4-12(13)19-11)10-22-16-15-17-6-8-21(15)9-7-18-16/h2-9H,10H2,1H3
InChIKeySBBLFJNXILSPQY-UHFFFAOYSA-N
XLogP3.27
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline 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

2-[4-(ethylsulfanyl)-1H-benzimidazol-2-yl]quinoxaline
CID 11688103
Agl 2043
CID 9817165
4-(4-Methyl-piperazin-1-yl)-pyrrolo[1,2-a]quinoline
CID 10378253
7-(4-Prop-2-enylpiperazin-1-yl)-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10637485
6-(4-Methyl-piperazin-1-yl)-pyrido[3,2-e]pyrrolo[1,2-a]pyrazine
CID 19978038
2-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 914229
N-(2-aminoethyl)-12-methyl-4-(pyridin-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093432
2-((Pyridin-2-ylthio)methyl)imidazo[1,2-a]pyrimidine
CID 700162
2-Methyl-3-{2-[(4-methylbenzyl)thio]pyrimidin-4-yl}imidazo[1,2-a]pyridine
CID 2745491
2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole
CID 660778
2-((imidazo[1,2-a]pyridin-2-ylmethyl)thio)-1H-benzo[d]imidazole
CID 804234
4-(N'-methylpiperazinyl)imidazo[1,2-a] quinoxaline
CID 4327008

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline?
The IUPAC name of 2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline (CID 99801217) is 2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline.
What is the SMILES notation for 2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline?
The canonical SMILES for 2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline is Cc1nc2ccccc2nc1CSc1nccn2ccnc12.
What is the InChIKey of 2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline?
The InChIKey is SBBLFJNXILSPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S/c1-11-14(20-13-5-3-2-4-12(13)19-11)10-22-16-15-17-6-8-21(15)9-7-18-16/h2-9H,10H2,1H3.
What are the key properties of 2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline?
2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline has a molecular weight of 307.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline is sourced from PubChem (CID 99801217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).