2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole

C28H16N8S — CID 141085850

IUPAC2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole
SMILESc1ccc2c(-c3c(-c4cn5ccccc5n4)sc4ncc(-c5cnc6ccccc6n5)n34)nncc2c1
InChIInChI=1S/C28H16N8S/c1-2-8-18-17(7-1)13-31-34-25(18)26-27(22-16-35-12-6-5-11-24(35)33-22)37-28-30-15-23(36(26)28)21-14-29-19-9-3-4-10-20(19)32-21/h1-16H
InChIKeyZQNVVMAICSQTFG-UHFFFAOYSA-N
MW496.56 g/mol
LogP5.93
Rot. Bonds3

About 2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole

2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 141085850) has the molecular formula C28H16N8S and a molecular weight of 496.56 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole
PubChem CID141085850
Molecular FormulaC28H16N8S
Molecular Weight496.56 g/mol
Exact Mass496.12
IUPAC Name2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole
SMILESc1ccc2c(-c3c(-c4cn5ccccc5n4)sc4ncc(-c5cnc6ccccc6n5)n34)nncc2c1
InChIInChI=1S/C28H16N8S/c1-2-8-18-17(7-1)13-31-34-25(18)26-27(22-16-35-12-6-5-11-24(35)33-22)37-28-30-15-23(36(26)28)21-14-29-19-9-3-4-10-20(19)32-21/h1-16H
InChIKeyZQNVVMAICSQTFG-UHFFFAOYSA-N
XLogP5.93
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.56
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

CID 56646935
CID 56646935
2-(3-methyl-1-benzothiophen-2-yl)quinoxaline
CID 14099248
1-(5-imidazo[1,2-a]pyridin-2-ylthiophen-2-yl)-4-(1,2,4-triazol-1-yl)phthalazine
CID 110170272
2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridine
CID 22380806
1-quinazolin-2-ylphthalazine
CID 57181955
imidazo[1,2-a]pyridin-2-ylmethyl quinoxaline-2-carboxylate
CID 71944439
5-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-phenyl-1,3-thiazole
CID 4675031
2-imidazo[1,2-a]pyridin-2-ylphthalazin-1-one
CID 164974803
2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]imidazo[1,2-a]pyridine
CID 168835940
2-phthalazin-1-yl-3-quinazolin-2-ylquinoxaline
CID 140979665
1-phenylphthalazine
CID 609624
6-phthalazin-1-yl-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-yl-1,2,3-benzotriazine
CID 141186214

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole (CID 141085850) is 2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole is c1ccc2c(-c3c(-c4cn5ccccc5n4)sc4ncc(-c5cnc6ccccc6n5)n34)nncc2c1.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is ZQNVVMAICSQTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N8S/c1-2-8-18-17(7-1)13-31-34-25(18)26-27(22-16-35-12-6-5-11-24(35)33-22)37-28-30-15-23(36(26)28)21-14-29-19-9-3-4-10-20(19)32-21/h1-16H.
What are the key properties of 2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole?
2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 496.56 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-2-yl-3-phthalazin-1-yl-5-quinoxalin-2-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 141085850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).