8-[(2S)-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-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]

C102H133N13O2 — CID 162089892

About 8-[(2S)-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-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]

8-[(2S)-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-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine] (PubChem CID 162089892) has the molecular formula C102H133N13O2 and a molecular weight of 1578.31 g/mol. Its IUPAC name is 8-[(2S)-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-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine].

Molecular Properties

• Compound Name: 8-[(2S)-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-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]
• PubChem CID: 162089892
• Molecular Formula: C102H133N13O2
• Molecular Weight: 1578.31 g/mol
• Exact Mass: 1577.10
• IUPAC Name: 8-[(2S)-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-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]
• SMILES: Cc1ccccc1N1[C@@H](C)C(C)(C)CC1(C)C.Cc1ccccc1N1[C@@H](C)C2(CC1(C)C)C1CC3CC(C1)CC2C3.Cc1ccccc1N1[C@@H](C)C2(CCCCC2)CC1(C)C.[2H]C(C)(C)N1c2nccnc2N(c2c(C)ccc3c2oc2nc(C)ccc23)[C@H]1C.[2H]C([2H])([2H])C([2H])(C)N1c2nccnc2N(c2c(C)ccc3c2oc2nc(C)ccc23)[C@H]1C
• InChI: InChI=1S/C23H33N.2C22H23N5O.C19H29N.C16H25N/c1-15-7-5-6-8-21(15)24-16(2)23(14-22(24,3)4)19-10-17-9-18(12-19)13-20(23)11-17;2*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;1-15-10-6-7-11-17(15)20-16(2)19(14-18(20,3)4)12-8-5-9-13-19;1-12-9-7-8-10-14(12)17-13(2)15(3,4)11-16(17,5)6/h5-8,16-20H,9-14H2,1-4H3;2*6-12,15H,1-5H3;6-7,10-11,16H,5,8-9,12-14H2,1-4H3;7-10,13H,11H2,1-6H3/t16-,17?,18?,19?,20?,23?;2*15-;16-;13-/m00000/s1/i;1D3,12D;12D;;/t;12?,15-;m
• InChIKey: ZDLRGIDSJGNKMA-GENSYRQASA-N
• XLogP: 25.74
• TPSA: 126.30 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1578.31
LogP ≤ 5	25.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-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-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]?

The IUPAC name of 8-[(2S)-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-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine] (CID 162089892) is 8-[(2S)-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-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine].

What is the SMILES notation for 8-[(2S)-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-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]?

The canonical SMILES for 8-[(2S)-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-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine] is Cc1ccccc1N1[C@@H](C)C(C)(C)CC1(C)C.Cc1ccccc1N1[C@@H](C)C2(CC1(C)C)C1CC3CC(C1)CC2C3.Cc1ccccc1N1[C@@H](C)C2(CCCCC2)CC1(C)C.[2H]C(C)(C)N1c2nccnc2N(c2c(C)ccc3c2oc2nc(C)ccc23)[C@H]1C.[2H]C([2H])([2H])C([2H])(C)N1c2nccnc2N(c2c(C)ccc3c2oc2nc(C)ccc23)[C@H]1C.

What is the InChIKey of 8-[(2S)-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-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]?

The InChIKey is ZDLRGIDSJGNKMA-GENSYRQASA-N. The full InChI is InChI=1S/C23H33N.2C22H23N5O.C19H29N.C16H25N/c1-15-7-5-6-8-21(15)24-16(2)23(14-22(24,3)4)19-10-17-9-18(12-19)13-20(23)11-17;2*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;1-15-10-6-7-11-17(15)20-16(2)19(14-18(20,3)4)12-8-5-9-13-19;1-12-9-7-8-10-14(12)17-13(2)15(3,4)11-16(17,5)6/h5-8,16-20H,9-14H2,1-4H3;2*6-12,15H,1-5H3;6-7,10-11,16H,5,8-9,12-14H2,1-4H3;7-10,13H,11H2,1-6H3/t16-,17?,18?,19?,20?,23?;2*15-;16-;13-/m00000/s1/i;1D3,12D;12D;;/t;12?,15-;m;;.

What are the key properties of 8-[(2S)-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-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]?

8-[(2S)-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-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine] has a molecular weight of 1578.31 g/mol, XLogP of 25.74, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2S)-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-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;(5S)-2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;(1S)-1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;(5'S)-2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine] is sourced from PubChem (CID 162089892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).