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

C₁₀₅H₁₀₇N₁₇O₅ — CID 159664434

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

8-[(2S)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 159664434) has the molecular formula C₁₀₅H₁₀₇N₁₇O₅ and a molecular weight of 1698.19 g/mol. Its IUPAC name is 8-[(2S)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[(2S)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 159664434
• Molecular Formula: C₁₀₅H₁₀₇N₁₇O₅
• Molecular Weight: 1698.19 g/mol
• Exact Mass: 1696.93
• IUPAC Name: 8-[(2S)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(N3c4nccnc4N(c4ccccc4)[C@@H]3C)c(C)ccc12.[2H]C(C)(C)N1C=CN(c2c(C)ccc3c2oc2nc(C)ccc23)[C@H]1C.[2H]C([2H])([2H])C([2H])(C)N1C=CN(c2c(C)ccc3c2oc2nc(C)ccc23)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccc3c2oc2nc(C)ccc23)[C@H]1C.[2H]C([2H])([2H])N1c2ccccc2N(c2c(C)ccc3c2oc2nc(C)ccc23)[C@H]1C
• InChI: InChI=1S/C25H21N5O.C22H21N3O.2C20H23N3O.C18H19N3O/c1-15-9-11-19-20-12-10-16(2)28-25(20)31-22(19)21(15)30-17(3)29(18-7-5-4-6-8-18)23-24(30)27-14-13-26-23;1-13-9-11-16-17-12-10-14(2)23-22(17)26-21(16)20(13)25-15(3)24(4)18-7-5-6-8-19(18)25;2*1-12(2)22-10-11-23(15(22)5)18-13(3)6-8-16-17-9-7-14(4)21-20(17)24-19(16)18;1-11-5-7-14-15-8-6-12(2)19-18(15)22-17(14)16(11)21-10-9-20(4)13(21)3/h4-14,17H,1-3H3;5-12,15H,1-4H3;2*6-12,15H,1-5H3;5-10,13H,1-4H3/t17-;3*15-;13-/m00000/s1/i;4D3;1D3,12D;12D;4D3/t;m;12?,15-;2m
• InChIKey: MTFJWJNIULPAQO-OMZBVSPMSA-N
• XLogP: 25.61
• TPSA: 188.33 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1698.19
LogP ≤ 5	25.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 8-[(2S)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine (CID 159664434) is 8-[(2S)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine.

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

The canonical SMILES for 8-[(2S)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(N3c4nccnc4N(c4ccccc4)[C@@H]3C)c(C)ccc12.[2H]C(C)(C)N1C=CN(c2c(C)ccc3c2oc2nc(C)ccc23)[C@H]1C.[2H]C([2H])([2H])C([2H])(C)N1C=CN(c2c(C)ccc3c2oc2nc(C)ccc23)[C@H]1C.[2H]C([2H])([2H])N1C=CN(c2c(C)ccc3c2oc2nc(C)ccc23)[C@H]1C.[2H]C([2H])([2H])N1c2ccccc2N(c2c(C)ccc3c2oc2nc(C)ccc23)[C@H]1C.

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

The InChIKey is MTFJWJNIULPAQO-OMZBVSPMSA-N. The full InChI is InChI=1S/C25H21N5O.C22H21N3O.2C20H23N3O.C18H19N3O/c1-15-9-11-19-20-12-10-16(2)28-25(20)31-22(19)21(15)30-17(3)29(18-7-5-4-6-8-18)23-24(30)27-14-13-26-23;1-13-9-11-16-17-12-10-14(2)23-22(17)26-21(16)20(13)25-15(3)24(4)18-7-5-6-8-19(18)25;2*1-12(2)22-10-11-23(15(22)5)18-13(3)6-8-16-17-9-7-14(4)21-20(17)24-19(16)18;1-11-5-7-14-15-8-6-12(2)19-18(15)22-17(14)16(11)21-10-9-20(4)13(21)3/h4-14,17H,1-3H3;5-12,15H,1-4H3;2*6-12,15H,1-5H3;5-10,13H,1-4H3/t17-;3*15-;13-/m00000/s1/i;4D3;1D3,12D;12D;4D3/t;m;12?,15-;2m.

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

8-[(2S)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1698.19 g/mol, XLogP of 25.61, 11 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2S)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyrazin-3-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 159664434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159664434 — identifiers, structure, computed properties (public domain)

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