8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine

C64H65N15O3 — CID 162301872

About 8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine

8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 162301872) has the molecular formula C64H65N15O3 and a molecular weight of 1100.37 g/mol. Its IUPAC name is 8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 162301872
• Molecular Formula: C64H65N15O3
• Molecular Weight: 1100.37 g/mol
• Exact Mass: 1099.59
• IUPAC Name: 8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine
• SMILES: [2H]C(C)(C)N1c2nccnc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C.[2H]C([2H])([2H])C([2H])(C)N1c2nccnc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C.[2H]C([2H])([2H])N1c2nccnc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C
• InChI: InChI=1S/2C22H23N5O.C20H19N5O/c2*1-12(2)26-15(5)27(21-20(26)23-10-11-24-21)18-13(3)6-8-16-17-9-7-14(4)25-22(17)28-19(16)18;1-11-5-7-14-15-8-6-12(2)23-20(15)26-17(14)16(11)25-13(3)24(4)18-19(25)22-10-9-21-18/h2*6-12,15H,1-5H3;5-10,13H,1-4H3/i1D3,12D;12D;4D3
• InChIKey: GOZFTRUUHVTBEC-RQBCULRKSA-N
• XLogP: 14.52
• TPSA: 174.87 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1100.37
LogP ≤ 5	14.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine (CID 162301872) is 8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine is [2H]C(C)(C)N1c2nccnc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C.[2H]C([2H])([2H])C([2H])(C)N1c2nccnc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C.[2H]C([2H])([2H])N1c2nccnc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C.

What is the InChIKey of 8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine?

The InChIKey is GOZFTRUUHVTBEC-RQBCULRKSA-N. The full InChI is InChI=1S/2C22H23N5O.C20H19N5O/c2*1-12(2)26-15(5)27(21-20(26)23-10-11-24-21)18-13(3)6-8-16-17-9-7-14(4)25-22(17)28-19(16)18;1-11-5-7-14-15-8-6-12(2)23-20(15)26-17(14)16(11)25-13(3)24(4)18-19(25)22-10-9-21-18/h2*6-12,15H,1-5H3;5-10,13H,1-4H3/i1D3,12D;12D;4D3.

What are the key properties of 8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine?

8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1100.37 g/mol, XLogP of 14.52, 7 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 162301872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).