8-(1,8-dideuterio-10-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.2]octan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,8,10-trimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2,4,6-trimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-[1]benzofuro[2,3-b]pyridine

C120H136N12O5 — CID 162296874

About 8-(1,8-dideuterio-10-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.2]octan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,8,10-trimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2,4,6-trimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-[1]benzofuro[2,3-b]pyridine

8-(1,8-dideuterio-10-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.2]octan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,8,10-trimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2,4,6-trimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 162296874) has the molecular formula C120H136N12O5 and a molecular weight of 1828.50 g/mol. Its IUPAC name is 8-(1,8-dideuterio-10-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.2]octan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,8,10-trimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2,4,6-trimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

• Compound Name: 8-(1,8-dideuterio-10-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.2]octan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,8,10-trimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2,4,6-trimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-[1]benzofuro[2,3-b]pyridine
• PubChem CID: 162296874
• Molecular Formula: C120H136N12O5
• Molecular Weight: 1828.50 g/mol
• Exact Mass: 1827.09
• IUPAC Name: 8-(1,8-dideuterio-10-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.2]octan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,8,10-trimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2,4,6-trimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-[1]benzofuro[2,3-b]pyridine
• SMILES: Cc1ccc2c(n1)oc1c(N3C(C)C4(C)CCC3(C)C(C)C4C)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C(C)C4(C)CCC3(C)c3ccccc34)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C(C)N4CCC3(C)CC4)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C(C)N4CCC3(C)CC4C)c(C)ccc12.[2H]C12CCC([2H])(c3ccccc31)N(c1c(C)ccc3c1oc1nc(C)ccc13)C2C
• InChI: InChI=1S/C27H28N2O.C25H24N2O.C25H32N2O.C22H27N3O.C21H25N3O/c1-16-10-12-19-20-13-11-17(2)28-25(20)30-24(19)23(16)29-18(3)26(4)14-15-27(29,5)22-9-7-6-8-21(22)26;1-14-8-10-20-21-11-9-15(2)26-25(21)28-24(20)23(14)27-16(3)17-12-13-22(27)19-7-5-4-6-18(17)19;1-14-8-10-19-20-11-9-15(2)26-23(20)28-22(19)21(14)27-18(5)24(6)12-13-25(27,7)17(4)16(24)3;1-13-6-8-17-18-9-7-14(2)23-21(18)26-20(17)19(13)25-16(4)24-11-10-22(25,5)12-15(24)3;1-13-5-7-16-17-8-6-14(2)22-20(17)25-19(16)18(13)24-15(3)23-11-9-21(24,4)10-12-23/h6-13,18H,14-15H2,1-5H3;4-11,16-17,22H,12-13H2,1-3H3;8-11,16-18H,12-13H2,1-7H3;6-9,15-16H,10-12H2,1-5H3;5-8,15H,9-12H2,1-4H3/i;17D,22D
• InChIKey: ICPTXVUMAVLTJR-LETCGIATSA-N
• XLogP: 29.46
• TPSA: 152.83 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 5
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1828.50
LogP ≤ 5	29.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 8-(1,8-dideuterio-10-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.2]octan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,8,10-trimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2,4,6-trimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-[1]benzofuro[2,3-b]pyridine?

The IUPAC name of 8-(1,8-dideuterio-10-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.2]octan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,8,10-trimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2,4,6-trimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-[1]benzofuro[2,3-b]pyridine (CID 162296874) is 8-(1,8-dideuterio-10-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.2]octan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,8,10-trimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2,4,6-trimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-[1]benzofuro[2,3-b]pyridine.

What is the SMILES notation for 8-(1,8-dideuterio-10-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.2]octan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,8,10-trimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2,4,6-trimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-[1]benzofuro[2,3-b]pyridine?

The canonical SMILES for 8-(1,8-dideuterio-10-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.2]octan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,8,10-trimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2,4,6-trimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(N3C(C)C4(C)CCC3(C)C(C)C4C)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C(C)C4(C)CCC3(C)c3ccccc34)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C(C)N4CCC3(C)CC4)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C(C)N4CCC3(C)CC4C)c(C)ccc12.[2H]C12CCC([2H])(c3ccccc31)N(c1c(C)ccc3c1oc1nc(C)ccc13)C2C.

What is the InChIKey of 8-(1,8-dideuterio-10-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.2]octan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,8,10-trimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2,4,6-trimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-[1]benzofuro[2,3-b]pyridine?

The InChIKey is ICPTXVUMAVLTJR-LETCGIATSA-N. The full InChI is InChI=1S/C27H28N2O.C25H24N2O.C25H32N2O.C22H27N3O.C21H25N3O/c1-16-10-12-19-20-13-11-17(2)28-25(20)30-24(19)23(16)29-18(3)26(4)14-15-27(29,5)22-9-7-6-8-21(22)26;1-14-8-10-20-21-11-9-15(2)26-25(21)28-24(20)23(14)27-16(3)17-12-13-22(27)19-7-5-4-6-18(17)19;1-14-8-10-19-20-11-9-15(2)26-23(20)28-22(19)21(14)27-18(5)24(6)12-13-25(27,7)17(4)16(24)3;1-13-6-8-17-18-9-7-14(2)23-21(18)26-20(17)19(13)25-16(4)24-11-10-22(25,5)12-15(24)3;1-13-5-7-16-17-8-6-14(2)22-20(17)25-19(16)18(13)24-15(3)23-11-9-21(24,4)10-12-23/h6-13,18H,14-15H2,1-5H3;4-11,16-17,22H,12-13H2,1-3H3;8-11,16-18H,12-13H2,1-7H3;6-9,15-16H,10-12H2,1-5H3;5-8,15H,9-12H2,1-4H3/i;17D,22D;;;.

What are the key properties of 8-(1,8-dideuterio-10-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.2]octan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,8,10-trimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2,4,6-trimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-[1]benzofuro[2,3-b]pyridine?

8-(1,8-dideuterio-10-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.2]octan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,8,10-trimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2,4,6-trimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1828.50 g/mol, XLogP of 29.46, 5 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,8-dideuterio-10-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(2,4-dimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.2]octan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,8,10-trimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(2,4,6-trimethyl-1,3-diazabicyclo[2.2.2]octan-3-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 162296874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).