2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline

C24H18N6S2 — CID 23821918

IUPAC2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
SMILESc1ccc2nc(SCc3cn4ccccc4n3)c(SCc3cn4ccccc4n3)nc2c1
InChIInChI=1S/C24H18N6S2/c1-2-8-20-19(7-1)27-23(31-15-17-13-29-11-5-3-9-21(29)25-17)24(28-20)32-16-18-14-30-12-6-4-10-22(30)26-18/h1-14H,15-16H2
InChIKeyNZLOYBUDPWZXTF-UHFFFAOYSA-N
MW454.58 g/mol
LogP5.51
Rot. Bonds6

About 2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline

2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline (PubChem CID 23821918) has the molecular formula C24H18N6S2 and a molecular weight of 454.58 g/mol. Its IUPAC name is 2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
PubChem CID23821918
Molecular FormulaC24H18N6S2
Molecular Weight454.58 g/mol
Exact Mass454.10
IUPAC Name2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
SMILESc1ccc2nc(SCc3cn4ccccc4n3)c(SCc3cn4ccccc4n3)nc2c1
InChIInChI=1S/C24H18N6S2/c1-2-8-20-19(7-1)27-23(31-15-17-13-29-11-5-3-9-21(29)25-17)24(28-20)32-16-18-14-30-12-6-4-10-22(30)26-18/h1-14H,15-16H2
InChIKeyNZLOYBUDPWZXTF-UHFFFAOYSA-N
XLogP5.51
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.58
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole
CID 51280131
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde
CID 113384643
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 4175552
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17307793
imidazo[1,2-a]pyridin-2-ylmethylazanium
CID 7012186
2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 38511832
[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315098
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
3-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 7029190
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 8852385
4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol
CID 51141746

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline?
The IUPAC name of 2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline (CID 23821918) is 2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline.
What is the SMILES notation for 2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline?
The canonical SMILES for 2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline is c1ccc2nc(SCc3cn4ccccc4n3)c(SCc3cn4ccccc4n3)nc2c1.
What is the InChIKey of 2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline?
The InChIKey is NZLOYBUDPWZXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6S2/c1-2-8-20-19(7-1)27-23(31-15-17-13-29-11-5-3-9-21(29)25-17)24(28-20)32-16-18-14-30-12-6-4-10-22(30)26-18/h1-14H,15-16H2.
What are the key properties of 2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline?
2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline has a molecular weight of 454.58 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline is sourced from PubChem (CID 23821918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).