8-[3,3-dideuterio-2,2-dimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-3,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;3,3-dideuterio-2,2-dimethyl-1-(3-methyldibenzofuran-4-yl)-4,4-bis(trideuteriomethyl)pyrrolidine;ethane;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-indole;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-pyrrolo[2,3-b]pyridine

C108H145N7O3 — CID 158635417

About 8-[3,3-dideuterio-2,2-dimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-3,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;3,3-dideuterio-2,2-dimethyl-1-(3-methyldibenzofuran-4-yl)-4,4-bis(trideuteriomethyl)pyrrolidine;ethane;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-indole;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-pyrrolo[2,3-b]pyridine

8-[3,3-dideuterio-2,2-dimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-3,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;3,3-dideuterio-2,2-dimethyl-1-(3-methyldibenzofuran-4-yl)-4,4-bis(trideuteriomethyl)pyrrolidine;ethane;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-indole;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-pyrrolo[2,3-b]pyridine (PubChem CID 158635417) has the molecular formula C108H145N7O3 and a molecular weight of 1613.54 g/mol. Its IUPAC name is 8-[3,3-dideuterio-2,2-dimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-3,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;3,3-dideuterio-2,2-dimethyl-1-(3-methyldibenzofuran-4-yl)-4,4-bis(trideuteriomethyl)pyrrolidine;ethane;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-indole;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-[3,3-dideuterio-2,2-dimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-3,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;3,3-dideuterio-2,2-dimethyl-1-(3-methyldibenzofuran-4-yl)-4,4-bis(trideuteriomethyl)pyrrolidine;ethane;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-indole;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158635417
• Molecular Formula: C108H145N7O3
• Molecular Weight: 1613.54 g/mol
• Exact Mass: 1612.29
• IUPAC Name: 8-[3,3-dideuterio-2,2-dimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-3,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;3,3-dideuterio-2,2-dimethyl-1-(3-methyldibenzofuran-4-yl)-4,4-bis(trideuteriomethyl)pyrrolidine;ethane;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-indole;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-pyrrolo[2,3-b]pyridine
• SMILES: CC.CC.CC.CC.CC.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])CN(c2c(C)ccc3c2oc2ccccc23)C(C)(C)C1([2H])[2H].[2H]C([2H])([2H])C1(C([2H])([2H])[2H])CN(c2c(C)ccc3c2oc2ncccc23)C(C)(C)C1([2H])[2H].[2H]C([2H])([2H])C1(C)CN(c2ccccc2C)c2ccccc21.[2H]C([2H])([2H])C1(C)CN(c2ccccc2C)c2ncccc21.[2H]C1([2H])C2(CCCCC2)CN(c2c(C)ccc3c2oc2ccccc23)C1(C)C
• InChI: InChI=1S/C24H29NO.C21H25NO.C20H24N2O.C17H19N.C16H18N2.5C2H6/c1-17-11-12-19-18-9-5-6-10-20(18)26-22(19)21(17)25-16-24(15-23(25,2)3)13-7-4-8-14-24;1-14-10-11-16-15-8-6-7-9-17(15)23-19(16)18(14)22-13-20(2,3)12-21(22,4)5;1-13-8-9-14-15-7-6-10-21-18(15)23-17(14)16(13)22-12-19(2,3)11-20(22,4)5;1-13-8-4-6-10-15(13)18-12-17(2,3)14-9-5-7-11-16(14)18;1-12-7-4-5-9-14(12)18-11-16(2,3)13-8-6-10-17-15(13)18;5*1-2/h5-6,9-12H,4,7-8,13-16H2,1-3H3;6-11H,12-13H2,1-5H3;6-10H,11-12H2,1-5H3;4-11H,12H2,1-3H3;4-10H,11H2,1-3H3;5*1-2H3/i15D2;2D3,3D3,12D2;2D3,3D3,11D2;2*2D3
• InChIKey: AVGQOPKVHGKNPD-ZEERPGCOSA-N
• XLogP: 31.42
• TPSA: 81.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1613.54
LogP ≤ 5	31.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 8-[3,3-dideuterio-2,2-dimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-3,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;3,3-dideuterio-2,2-dimethyl-1-(3-methyldibenzofuran-4-yl)-4,4-bis(trideuteriomethyl)pyrrolidine;ethane;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-indole;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 8-[3,3-dideuterio-2,2-dimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-3,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;3,3-dideuterio-2,2-dimethyl-1-(3-methyldibenzofuran-4-yl)-4,4-bis(trideuteriomethyl)pyrrolidine;ethane;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-indole;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-pyrrolo[2,3-b]pyridine (CID 158635417) is 8-[3,3-dideuterio-2,2-dimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-3,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;3,3-dideuterio-2,2-dimethyl-1-(3-methyldibenzofuran-4-yl)-4,4-bis(trideuteriomethyl)pyrrolidine;ethane;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-indole;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 8-[3,3-dideuterio-2,2-dimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-3,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;3,3-dideuterio-2,2-dimethyl-1-(3-methyldibenzofuran-4-yl)-4,4-bis(trideuteriomethyl)pyrrolidine;ethane;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-indole;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 8-[3,3-dideuterio-2,2-dimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-3,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;3,3-dideuterio-2,2-dimethyl-1-(3-methyldibenzofuran-4-yl)-4,4-bis(trideuteriomethyl)pyrrolidine;ethane;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-indole;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-pyrrolo[2,3-b]pyridine is CC.CC.CC.CC.CC.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])CN(c2c(C)ccc3c2oc2ccccc23)C(C)(C)C1([2H])[2H].[2H]C([2H])([2H])C1(C([2H])([2H])[2H])CN(c2c(C)ccc3c2oc2ncccc23)C(C)(C)C1([2H])[2H].[2H]C([2H])([2H])C1(C)CN(c2ccccc2C)c2ccccc21.[2H]C([2H])([2H])C1(C)CN(c2ccccc2C)c2ncccc21.[2H]C1([2H])C2(CCCCC2)CN(c2c(C)ccc3c2oc2ccccc23)C1(C)C.

What is the InChIKey of 8-[3,3-dideuterio-2,2-dimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-3,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;3,3-dideuterio-2,2-dimethyl-1-(3-methyldibenzofuran-4-yl)-4,4-bis(trideuteriomethyl)pyrrolidine;ethane;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-indole;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-pyrrolo[2,3-b]pyridine?

The InChIKey is AVGQOPKVHGKNPD-ZEERPGCOSA-N. The full InChI is InChI=1S/C24H29NO.C21H25NO.C20H24N2O.C17H19N.C16H18N2.5C2H6/c1-17-11-12-19-18-9-5-6-10-20(18)26-22(19)21(17)25-16-24(15-23(25,2)3)13-7-4-8-14-24;1-14-10-11-16-15-8-6-7-9-17(15)23-19(16)18(14)22-13-20(2,3)12-21(22,4)5;1-13-8-9-14-15-7-6-10-21-18(15)23-17(14)16(13)22-12-19(2,3)11-20(22,4)5;1-13-8-4-6-10-15(13)18-12-17(2,3)14-9-5-7-11-16(14)18;1-12-7-4-5-9-14(12)18-11-16(2,3)13-8-6-10-17-15(13)18;5*1-2/h5-6,9-12H,4,7-8,13-16H2,1-3H3;6-11H,12-13H2,1-5H3;6-10H,11-12H2,1-5H3;4-11H,12H2,1-3H3;4-10H,11H2,1-3H3;5*1-2H3/i15D2;2D3,3D3,12D2;2D3,3D3,11D2;2*2D3;;;;;.

What are the key properties of 8-[3,3-dideuterio-2,2-dimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-3,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;3,3-dideuterio-2,2-dimethyl-1-(3-methyldibenzofuran-4-yl)-4,4-bis(trideuteriomethyl)pyrrolidine;ethane;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-indole;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-pyrrolo[2,3-b]pyridine?

8-[3,3-dideuterio-2,2-dimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-3,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;3,3-dideuterio-2,2-dimethyl-1-(3-methyldibenzofuran-4-yl)-4,4-bis(trideuteriomethyl)pyrrolidine;ethane;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-indole;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-pyrrolo[2,3-b]pyridine has a molecular weight of 1613.54 g/mol, XLogP of 31.42, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3,3-dideuterio-2,2-dimethyl-4,4-bis(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-3,3-dimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane;3,3-dideuterio-2,2-dimethyl-1-(3-methyldibenzofuran-4-yl)-4,4-bis(trideuteriomethyl)pyrrolidine;ethane;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-indole;3-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158635417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).