1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanone;10-methyl-7-[(E)-2-pyridin-4-ylethenyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-4-ylpropan-2-ol

C88H105N15O3 — CID 158426692

About 1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanone;10-methyl-7-[(E)-2-pyridin-4-ylethenyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-4-ylpropan-2-ol

1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanone;10-methyl-7-[(E)-2-pyridin-4-ylethenyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-4-ylpropan-2-ol (PubChem CID 158426692) has the molecular formula C88H105N15O3 and a molecular weight of 1420.91 g/mol. Its IUPAC name is 1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanone;10-methyl-7-[(E)-2-pyridin-4-ylethenyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-4-ylpropan-2-ol.

Molecular Properties

• Compound Name: 1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanone;10-methyl-7-[(E)-2-pyridin-4-ylethenyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-4-ylpropan-2-ol
• PubChem CID: 158426692
• Molecular Formula: C88H105N15O3
• Molecular Weight: 1420.91 g/mol
• Exact Mass: 1419.85
• IUPAC Name: 1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanone;10-methyl-7-[(E)-2-pyridin-4-ylethenyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-4-ylpropan-2-ol
• SMILES: Cc1cc(C)c2c(c1)c1c(n2CC(=O)C2CCCCC2)CCN2CCCC12.Cc1cc2c3c(n(CC(C)(O)c4cccnc4)c2nn1)CCN1CCCC31.Cc1cc2c3c(n(CC(C)(O)c4ccncc4)c2nn1)CCN1CCCC31.Cc1ccc2c(c1)c1c(n2/C=C/c2ccncc2)CCN2CCCC12
• InChI: InChI=1S/C24H32N2O.C22H23N3.2C21H25N5O/c1-16-13-17(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;1-16-4-5-19-18(15-16)22-20-3-2-12-24(20)13-9-21(22)25(19)14-8-17-6-10-23-11-7-17;1-14-11-16-19-17-6-4-9-25(17)10-7-18(19)26(20(16)24-23-14)13-21(2,27)15-5-3-8-22-12-15;1-14-12-16-19-17-4-3-10-25(17)11-7-18(19)26(20(16)24-23-14)13-21(2,27)15-5-8-22-9-6-15/h13-14,18,20H,3-12,15H2,1-2H3;4-8,10-11,14-15,20H,2-3,9,12-13H2,1H3;3,5,8,11-12,17,27H,4,6-7,9-10,13H2,1-2H3;5-6,8-9,12,17,27H,3-4,7,10-11,13H2,1-2H3/b;14-8+
• InChIKey: HBDDKMKXDMFMEP-DABRIAPOSA-N
• XLogP: 15.24
• TPSA: 180.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1420.91
LogP ≤ 5	15.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanone;10-methyl-7-[(E)-2-pyridin-4-ylethenyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-4-ylpropan-2-ol?

The IUPAC name of 1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanone;10-methyl-7-[(E)-2-pyridin-4-ylethenyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-4-ylpropan-2-ol (CID 158426692) is 1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanone;10-methyl-7-[(E)-2-pyridin-4-ylethenyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-4-ylpropan-2-ol.

What is the SMILES notation for 1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanone;10-methyl-7-[(E)-2-pyridin-4-ylethenyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-4-ylpropan-2-ol?

The canonical SMILES for 1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanone;10-methyl-7-[(E)-2-pyridin-4-ylethenyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-4-ylpropan-2-ol is Cc1cc(C)c2c(c1)c1c(n2CC(=O)C2CCCCC2)CCN2CCCC12.Cc1cc2c3c(n(CC(C)(O)c4cccnc4)c2nn1)CCN1CCCC31.Cc1cc2c3c(n(CC(C)(O)c4ccncc4)c2nn1)CCN1CCCC31.Cc1ccc2c(c1)c1c(n2/C=C/c2ccncc2)CCN2CCCC12.

What is the InChIKey of 1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanone;10-methyl-7-[(E)-2-pyridin-4-ylethenyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-4-ylpropan-2-ol?

The InChIKey is HBDDKMKXDMFMEP-DABRIAPOSA-N. The full InChI is InChI=1S/C24H32N2O.C22H23N3.2C21H25N5O/c1-16-13-17(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;1-16-4-5-19-18(15-16)22-20-3-2-12-24(20)13-9-21(22)25(19)14-8-17-6-10-23-11-7-17;1-14-11-16-19-17-6-4-9-25(17)10-7-18(19)26(20(16)24-23-14)13-21(2,27)15-5-3-8-22-12-15;1-14-12-16-19-17-4-3-10-25(17)11-7-18(19)26(20(16)24-23-14)13-21(2,27)15-5-8-22-9-6-15/h13-14,18,20H,3-12,15H2,1-2H3;4-8,10-11,14-15,20H,2-3,9,12-13H2,1H3;3,5,8,11-12,17,27H,4,6-7,9-10,13H2,1-2H3;5-6,8-9,12,17,27H,3-4,7,10-11,13H2,1-2H3/b;14-8+;;.

What are the key properties of 1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanone;10-methyl-7-[(E)-2-pyridin-4-ylethenyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-4-ylpropan-2-ol?

1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanone;10-methyl-7-[(E)-2-pyridin-4-ylethenyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-4-ylpropan-2-ol has a molecular weight of 1420.91 g/mol, XLogP of 15.24, 11 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanone;10-methyl-7-[(E)-2-pyridin-4-ylethenyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(14-methyl-6,10,12,13-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 158426692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).