7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-3-ylpropyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol

C108H139N11O4 — CID 157422478

About 7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-3-ylpropyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol

7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-3-ylpropyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol (PubChem CID 157422478) has the molecular formula C108H139N11O4 and a molecular weight of 1655.37 g/mol. Its IUPAC name is 7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-3-ylpropyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol.

Molecular Properties

• Compound Name: 7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-3-ylpropyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol
• PubChem CID: 157422478
• Molecular Formula: C108H139N11O4
• Molecular Weight: 1655.37 g/mol
• Exact Mass: 1654.10
• IUPAC Name: 7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-3-ylpropyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol
• SMILES: Cc1cc(C)c2c(c1)c1c(n2CC(C)(OCC2CCC2)c2cccnc2)CCN2CCCC12.Cc1cc(C)c2c(c1)c1c(n2CC(O)C2CCCCC2)CCN2CCCC12.Cc1cc(C)c2c(c1)c1c(n2CC(OCC2CCC2)c2ccncc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(OCC2CCC2)c2ccncc2)CCN2CCCC12
• InChI: InChI=1S/C29H37N3O.C28H35N3O.C27H33N3O.C24H34N2O/c1-20-15-21(2)28-24(16-20)27-25-10-6-13-31(25)14-11-26(27)32(28)19-29(3,23-9-5-12-30-17-23)33-18-22-7-4-8-22;1-19-15-20(2)28-23(16-19)27-24-7-4-13-30(24)14-10-25(27)31(28)17-26(22-8-11-29-12-9-22)32-18-21-5-3-6-21;1-19-7-8-23-22(16-19)27-24-6-3-14-29(24)15-11-25(27)30(23)17-26(21-9-12-28-13-10-21)31-18-20-4-2-5-20;1-16-13-17(2)24-19(14-16)23-20-9-6-11-25(20)12-10-21(23)26(24)15-22(27)18-7-4-3-5-8-18/h5,9,12,15-17,22,25H,4,6-8,10-11,13-14,18-19H2,1-3H3;8-9,11-12,15-16,21,24,26H,3-7,10,13-14,17-18H2,1-2H3;7-10,12-13,16,20,24,26H,2-6,11,14-15,17-18H2,1H3;13-14,18,20,22,27H,3-12,15H2,1-2H3
• InChIKey: BPOMXGANCAACSU-UHFFFAOYSA-N
• XLogP: 22.47
• TPSA: 119.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1655.37
LogP ≤ 5	22.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-3-ylpropyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol?

The IUPAC name of 7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-3-ylpropyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol (CID 157422478) is 7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-3-ylpropyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol.

What is the SMILES notation for 7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-3-ylpropyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol?

The canonical SMILES for 7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-3-ylpropyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol is Cc1cc(C)c2c(c1)c1c(n2CC(C)(OCC2CCC2)c2cccnc2)CCN2CCCC12.Cc1cc(C)c2c(c1)c1c(n2CC(O)C2CCCCC2)CCN2CCCC12.Cc1cc(C)c2c(c1)c1c(n2CC(OCC2CCC2)c2ccncc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(OCC2CCC2)c2ccncc2)CCN2CCCC12.

What is the InChIKey of 7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-3-ylpropyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol?

The InChIKey is BPOMXGANCAACSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O.C28H35N3O.C27H33N3O.C24H34N2O/c1-20-15-21(2)28-24(16-20)27-25-10-6-13-31(25)14-11-26(27)32(28)19-29(3,23-9-5-12-30-17-23)33-18-22-7-4-8-22;1-19-15-20(2)28-23(16-19)27-24-7-4-13-30(24)14-10-25(27)31(28)17-26(22-8-11-29-12-9-22)32-18-21-5-3-6-21;1-19-7-8-23-22(16-19)27-24-6-3-14-29(24)15-11-25(27)30(23)17-26(21-9-12-28-13-10-21)31-18-20-4-2-5-20;1-16-13-17(2)24-19(14-16)23-20-9-6-11-25(20)12-10-21(23)26(24)15-22(27)18-7-4-3-5-8-18/h5,9,12,15-17,22,25H,4,6-8,10-11,13-14,18-19H2,1-3H3;8-9,11-12,15-16,21,24,26H,3-7,10,13-14,17-18H2,1-2H3;7-10,12-13,16,20,24,26H,2-6,11,14-15,17-18H2,1H3;13-14,18,20,22,27H,3-12,15H2,1-2H3.

What are the key properties of 7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-3-ylpropyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol?

7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-3-ylpropyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol has a molecular weight of 1655.37 g/mol, XLogP of 22.47, 21 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-4-ylethyl]-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;7-[2-(cyclobutylmethoxy)-2-pyridin-3-ylpropyl]-8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol is sourced from PubChem (CID 157422478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).