ethane;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-methyl-2H-imidazo[4,5-b]pyridin-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine

C112H113N19O5 — CID 158722082

About ethane;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-methyl-2H-imidazo[4,5-b]pyridin-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine

ethane;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-methyl-2H-imidazo[4,5-b]pyridin-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 158722082) has the molecular formula C112H113N19O5 and a molecular weight of 1805.26 g/mol. Its IUPAC name is ethane;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-methyl-2H-imidazo[4,5-b]pyridin-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: ethane;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-methyl-2H-imidazo[4,5-b]pyridin-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 158722082
• Molecular Formula: C112H113N19O5
• Molecular Weight: 1805.26 g/mol
• Exact Mass: 1803.92
• IUPAC Name: ethane;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-methyl-2H-imidazo[4,5-b]pyridin-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine
• SMILES: CC.CC.CC.CC.CC.Cc1ccc2c(oc3ncccc32)c1N1C=CN(c2ccccc2)C1.Cc1ccc2c(oc3ncccc32)c1N1CN(C)c2cccnc21.Cc1ccc2c(oc3ncccc32)c1N1CN(C)c2ncccc21.Cc1ccc2c(oc3ncccc32)c1N1CN(C)c2nccnc21.Cc1ccc2c(oc3ncccc32)c1N1CN(c2ccccc2)c2ccccc21
• InChI: InChI=1S/C25H19N3O.C21H17N3O.2C19H16N4O.C18H15N5O.5C2H6/c1-17-13-14-19-20-10-7-15-26-25(20)29-24(19)23(17)28-16-27(18-8-3-2-4-9-18)21-11-5-6-12-22(21)28;1-15-9-10-17-18-8-5-11-22-21(18)25-20(17)19(15)24-13-12-23(14-24)16-6-3-2-4-7-16;1-12-7-8-13-14-5-3-10-21-19(14)24-17(13)16(12)23-11-22(2)18-15(23)6-4-9-20-18;1-12-7-8-13-14-5-3-10-21-19(14)24-17(13)16(12)23-11-22(2)15-6-4-9-20-18(15)23;1-11-5-6-12-13-4-3-7-21-18(13)24-15(12)14(11)23-10-22(2)16-17(23)20-9-8-19-16;5*1-2/h2-15H,16H2,1H3;2-13H,14H2,1H3;2*3-10H,11H2,1-2H3;3-9H,10H2,1-2H3;5*1-2H3
• InChIKey: LGKKJJBYFJYPHX-UHFFFAOYSA-N
• XLogP: 28.80
• TPSA: 214.11 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 7
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1805.26
LogP ≤ 5	28.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-methyl-2H-imidazo[4,5-b]pyridin-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of ethane;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-methyl-2H-imidazo[4,5-b]pyridin-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine (CID 158722082) is ethane;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-methyl-2H-imidazo[4,5-b]pyridin-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for ethane;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-methyl-2H-imidazo[4,5-b]pyridin-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for ethane;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-methyl-2H-imidazo[4,5-b]pyridin-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine is CC.CC.CC.CC.CC.Cc1ccc2c(oc3ncccc32)c1N1C=CN(c2ccccc2)C1.Cc1ccc2c(oc3ncccc32)c1N1CN(C)c2cccnc21.Cc1ccc2c(oc3ncccc32)c1N1CN(C)c2ncccc21.Cc1ccc2c(oc3ncccc32)c1N1CN(C)c2nccnc21.Cc1ccc2c(oc3ncccc32)c1N1CN(c2ccccc2)c2ccccc21.

What is the InChIKey of ethane;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-methyl-2H-imidazo[4,5-b]pyridin-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine?

The InChIKey is LGKKJJBYFJYPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O.C21H17N3O.2C19H16N4O.C18H15N5O.5C2H6/c1-17-13-14-19-20-10-7-15-26-25(20)29-24(19)23(17)28-16-27(18-8-3-2-4-9-18)21-11-5-6-12-22(21)28;1-15-9-10-17-18-8-5-11-22-21(18)25-20(17)19(15)24-13-12-23(14-24)16-6-3-2-4-7-16;1-12-7-8-13-14-5-3-10-21-19(14)24-17(13)16(12)23-11-22(2)18-15(23)6-4-9-20-18;1-12-7-8-13-14-5-3-10-21-19(14)24-17(13)16(12)23-11-22(2)15-6-4-9-20-18(15)23;1-11-5-6-12-13-4-3-7-21-18(13)24-15(12)14(11)23-10-22(2)16-17(23)20-9-8-19-16;5*1-2/h2-15H,16H2,1H3;2-13H,14H2,1H3;2*3-10H,11H2,1-2H3;3-9H,10H2,1-2H3;5*1-2H3.

What are the key properties of ethane;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-methyl-2H-imidazo[4,5-b]pyridin-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine?

ethane;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-methyl-2H-imidazo[4,5-b]pyridin-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1805.26 g/mol, XLogP of 28.80, 7 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyrazin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(1-methyl-2H-imidazo[4,5-b]pyridin-3-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-methyl-2H-imidazo[4,5-b]pyridin-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(3-phenyl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 158722082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).