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-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]

C119H156N10O — CID 162296947

About 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-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]

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-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine] (PubChem CID 162296947) has the molecular formula C119H156N10O and a molecular weight of 1746.65 g/mol. Its IUPAC name is 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-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine].

Molecular Properties

• Compound Name: 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-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]
• PubChem CID: 162296947
• Molecular Formula: C119H156N10O
• Molecular Weight: 1746.65 g/mol
• Exact Mass: 1745.27
• IUPAC Name: 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-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]
• SMILES: Cc1ccccc1N1C(C)C(C)(C)CC1(C)C.Cc1ccccc1N1C(C)C2(CC1(C)C)C1CC3CC(C1)CC2C3.Cc1ccccc1N1C(C)C2(CCCCC2)CC1(C)C.Cc1ccccc1N1c2ccccc2C(C)(C)C1C.Cc1ccccc1N1c2ccccc2C2(CCCCC2)C1C.[2H]C([2H])([2H])C([2H])(C)N1c2nccnc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C
• InChI: InChI=1S/C23H33N.C22H23N5O.C21H25N.C19H29N.C18H21N.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;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;1-16-10-4-6-12-19(16)22-17(2)21(14-8-3-9-15-21)18-11-5-7-13-20(18)22;1-15-10-6-7-11-17(15)20-16(2)19(14-18(20,3)4)12-8-5-9-13-19;1-13-9-5-7-11-16(13)19-14(2)18(3,4)15-10-6-8-12-17(15)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;6-12,15H,1-5H3;4-7,10-13,17H,3,8-9,14-15H2,1-2H3;6-7,10-11,16H,5,8-9,12-14H2,1-4H3;5-12,14H,1-4H3;7-10,13H,11H2,1-6H3/i;1D3,12D
• InChIKey: AGNUWBNZUCEAFR-HEUKUZDYSA-N
• XLogP: 31.19
• TPSA: 74.49 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1746.65
LogP ≤ 5	31.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 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-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]?

The IUPAC name of 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-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine] (CID 162296947) is 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-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine].

What is the SMILES notation for 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-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]?

The canonical SMILES for 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-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine] is Cc1ccccc1N1C(C)C(C)(C)CC1(C)C.Cc1ccccc1N1C(C)C2(CC1(C)C)C1CC3CC(C1)CC2C3.Cc1ccccc1N1C(C)C2(CCCCC2)CC1(C)C.Cc1ccccc1N1c2ccccc2C(C)(C)C1C.Cc1ccccc1N1c2ccccc2C2(CCCCC2)C1C.[2H]C([2H])([2H])C([2H])(C)N1c2nccnc2N(c2c(C)ccc3c2oc2nc(C)ccc23)C1C.

What is the InChIKey of 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-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]?

The InChIKey is AGNUWBNZUCEAFR-HEUKUZDYSA-N. The full InChI is InChI=1S/C23H33N.C22H23N5O.C21H25N.C19H29N.C18H21N.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;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;1-16-10-4-6-12-19(16)22-17(2)21(14-8-3-9-15-21)18-11-5-7-13-20(18)22;1-15-10-6-7-11-17(15)20-16(2)19(14-18(20,3)4)12-8-5-9-13-19;1-13-9-5-7-11-16(13)19-14(2)18(3,4)15-10-6-8-12-17(15)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;6-12,15H,1-5H3;4-7,10-13,17H,3,8-9,14-15H2,1-2H3;6-7,10-11,16H,5,8-9,12-14H2,1-4H3;5-12,14H,1-4H3;7-10,13H,11H2,1-6H3/i;1D3,12D;;;;.

What are the key properties of 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-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine]?

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-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine] has a molecular weight of 1746.65 g/mol, XLogP of 31.19, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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-methyl-1-(2-methylphenyl)spiro[2H-indole-3,1'-cyclohexane];2,2,4,4,5-pentamethyl-1-(2-methylphenyl)pyrrolidine;1,3,3-trimethyl-2-(2-methylphenyl)-2-azaspiro[4.5]decane;2,3,3-trimethyl-1-(2-methylphenyl)-2H-indole;2',2',5'-trimethyl-1'-(2-methylphenyl)spiro[adamantane-2,4'-pyrrolidine] is sourced from PubChem (CID 162296947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).