2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;1-(4-fluorophenyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol;2-(4-fluorophenyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol

C70H79F2N7O3 — CID 158268163

About 2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;1-(4-fluorophenyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol;2-(4-fluorophenyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol

2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;1-(4-fluorophenyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol;2-(4-fluorophenyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol (PubChem CID 158268163) has the molecular formula C70H79F2N7O3 and a molecular weight of 1104.44 g/mol. Its IUPAC name is 2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;1-(4-fluorophenyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol;2-(4-fluorophenyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol.

Molecular Properties

• Compound Name: 2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;1-(4-fluorophenyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol;2-(4-fluorophenyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol
• PubChem CID: 158268163
• Molecular Formula: C70H79F2N7O3
• Molecular Weight: 1104.44 g/mol
• Exact Mass: 1103.62
• IUPAC Name: 2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;1-(4-fluorophenyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol;2-(4-fluorophenyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol
• SMILES: Cc1cc(C)c2c(c1)c1c(n2CC(O)c2ccncc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(F)cc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(F)cc2)CCN2CCCC12
• InChI: InChI=1S/C24H27FN2O.C23H25FN2O.C23H27N3O/c1-16-5-10-20-19(14-16)23-21-4-3-12-26(21)13-11-22(23)27(20)15-24(2,28)17-6-8-18(25)9-7-17;1-15-4-9-19-18(13-15)23-20-3-2-11-25(20)12-10-21(23)26(19)14-22(27)16-5-7-17(24)8-6-16;1-15-12-16(2)23-18(13-15)22-19-4-3-10-25(19)11-7-20(22)26(23)14-21(27)17-5-8-24-9-6-17/h5-10,14,21,28H,3-4,11-13,15H2,1-2H3;4-9,13,20,22,27H,2-3,10-12,14H2,1H3;5-6,8-9,12-13,19,21,27H,3-4,7,10-11,14H2,1-2H3
• InChIKey: GISBNCHJBHUPNP-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 98.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1104.44
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;1-(4-fluorophenyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol;2-(4-fluorophenyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol?

The IUPAC name of 2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;1-(4-fluorophenyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol;2-(4-fluorophenyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol (CID 158268163) is 2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;1-(4-fluorophenyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol;2-(4-fluorophenyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol.

What is the SMILES notation for 2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;1-(4-fluorophenyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol;2-(4-fluorophenyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol?

The canonical SMILES for 2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;1-(4-fluorophenyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol;2-(4-fluorophenyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol is Cc1cc(C)c2c(c1)c1c(n2CC(O)c2ccncc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(F)cc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(F)cc2)CCN2CCCC12.

What is the InChIKey of 2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;1-(4-fluorophenyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol;2-(4-fluorophenyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol?

The InChIKey is GISBNCHJBHUPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O.C23H25FN2O.C23H27N3O/c1-16-5-10-20-19(14-16)23-21-4-3-12-26(21)13-11-22(23)27(20)15-24(2,28)17-6-8-18(25)9-7-17;1-15-4-9-19-18(13-15)23-20-3-2-11-25(20)12-10-21(23)26(19)14-22(27)16-5-7-17(24)8-6-16;1-15-12-16(2)23-18(13-15)22-19-4-3-10-25(19)11-7-20(22)26(23)14-21(27)17-5-8-24-9-6-17/h5-10,14,21,28H,3-4,11-13,15H2,1-2H3;4-9,13,20,22,27H,2-3,10-12,14H2,1H3;5-6,8-9,12-13,19,21,27H,3-4,7,10-11,14H2,1-2H3.

What are the key properties of 2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;1-(4-fluorophenyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol;2-(4-fluorophenyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol?

2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;1-(4-fluorophenyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol;2-(4-fluorophenyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol has a molecular weight of 1104.44 g/mol, XLogP of 13.28, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;1-(4-fluorophenyl)-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanol;2-(4-fluorophenyl)-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)propan-2-ol is sourced from PubChem (CID 158268163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).