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

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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).