2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(1-oxidopyridin-1-ium-4-yl)ethanol;2-(10-methyl-4-oxido-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-4-ium-7-yl)-1-pyridin-4-ylethanol

C89H100FN13O7 — CID 158445362

About 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(1-oxidopyridin-1-ium-4-yl)ethanol;2-(10-methyl-4-oxido-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-4-ium-7-yl)-1-pyridin-4-ylethanol

2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(1-oxidopyridin-1-ium-4-yl)ethanol;2-(10-methyl-4-oxido-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-4-ium-7-yl)-1-pyridin-4-ylethanol (PubChem CID 158445362) has the molecular formula C89H100FN13O7 and a molecular weight of 1482.86 g/mol. Its IUPAC name is 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(1-oxidopyridin-1-ium-4-yl)ethanol;2-(10-methyl-4-oxido-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-4-ium-7-yl)-1-pyridin-4-ylethanol.

Molecular Properties

• Compound Name: 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(1-oxidopyridin-1-ium-4-yl)ethanol;2-(10-methyl-4-oxido-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-4-ium-7-yl)-1-pyridin-4-ylethanol
• PubChem CID: 158445362
• Molecular Formula: C89H100FN13O7
• Molecular Weight: 1482.86 g/mol
• Exact Mass: 1481.79
• IUPAC Name: 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(1-oxidopyridin-1-ium-4-yl)ethanol;2-(10-methyl-4-oxido-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-4-ium-7-yl)-1-pyridin-4-ylethanol
• SMILES: Cc1cc2c3c(n(CC(O)c4ccncc4)c2cc1F)CCN1CCCC31.Cc1ccc2c(c1)c1c(n2CC(O)c2cc[n+]([O-])cc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(C(N)=O)nc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CC[N+]2([O-])CCCC12
• InChI: InChI=1S/C23H26N4O2.C22H24FN3O.2C22H25N3O2/c1-14-4-7-18-16(11-14)22-19-3-2-9-26(19)10-8-20(22)27(18)13-21(28)15-5-6-17(23(24)29)25-12-15;1-14-11-16-20(12-17(14)23)26(13-21(27)15-4-7-24-8-5-15)19-6-10-25-9-2-3-18(25)22(16)19;1-15-4-5-18-17(13-15)22-19(8-12-25(27)11-2-3-20(22)25)24(18)14-21(26)16-6-9-23-10-7-16;1-15-4-5-18-17(13-15)22-19-3-2-9-23(19)10-8-20(22)25(18)14-21(26)16-6-11-24(27)12-7-16/h4-7,11-12,19,21,28H,2-3,8-10,13H2,1H3,(H2,24,29);4-5,7-8,11-12,18,21,27H,2-3,6,9-10,13H2,1H3;4-7,9-10,13,20-21,26H,2-3,8,11-12,14H2,1H3;4-7,11-13,19,21,26H,2-3,8-10,14H2,1H3
• InChIKey: HDIAYOAAZYCSMU-UHFFFAOYSA-N
• XLogP: 13.57
• TPSA: 242.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1482.86
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(1-oxidopyridin-1-ium-4-yl)ethanol;2-(10-methyl-4-oxido-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-4-ium-7-yl)-1-pyridin-4-ylethanol?

The IUPAC name of 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(1-oxidopyridin-1-ium-4-yl)ethanol;2-(10-methyl-4-oxido-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-4-ium-7-yl)-1-pyridin-4-ylethanol (CID 158445362) is 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(1-oxidopyridin-1-ium-4-yl)ethanol;2-(10-methyl-4-oxido-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-4-ium-7-yl)-1-pyridin-4-ylethanol.

What is the SMILES notation for 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(1-oxidopyridin-1-ium-4-yl)ethanol;2-(10-methyl-4-oxido-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-4-ium-7-yl)-1-pyridin-4-ylethanol?

The canonical SMILES for 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(1-oxidopyridin-1-ium-4-yl)ethanol;2-(10-methyl-4-oxido-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-4-ium-7-yl)-1-pyridin-4-ylethanol is Cc1cc2c3c(n(CC(O)c4ccncc4)c2cc1F)CCN1CCCC31.Cc1ccc2c(c1)c1c(n2CC(O)c2cc[n+]([O-])cc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(C(N)=O)nc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CC[N+]2([O-])CCCC12.

What is the InChIKey of 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(1-oxidopyridin-1-ium-4-yl)ethanol;2-(10-methyl-4-oxido-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-4-ium-7-yl)-1-pyridin-4-ylethanol?

The InChIKey is HDIAYOAAZYCSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.C22H24FN3O.2C22H25N3O2/c1-14-4-7-18-16(11-14)22-19-3-2-9-26(19)10-8-20(22)27(18)13-21(28)15-5-6-17(23(24)29)25-12-15;1-14-11-16-20(12-17(14)23)26(13-21(27)15-4-7-24-8-5-15)19-6-10-25-9-2-3-18(25)22(16)19;1-15-4-5-18-17(13-15)22-19(8-12-25(27)11-2-3-20(22)25)24(18)14-21(26)16-6-9-23-10-7-16;1-15-4-5-18-17(13-15)22-19-3-2-9-23(19)10-8-20(22)25(18)14-21(26)16-6-11-24(27)12-7-16/h4-7,11-12,19,21,28H,2-3,8-10,13H2,1H3,(H2,24,29);4-5,7-8,11-12,18,21,27H,2-3,6,9-10,13H2,1H3;4-7,9-10,13,20-21,26H,2-3,8,11-12,14H2,1H3;4-7,11-13,19,21,26H,2-3,8-10,14H2,1H3.

What are the key properties of 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(1-oxidopyridin-1-ium-4-yl)ethanol;2-(10-methyl-4-oxido-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-4-ium-7-yl)-1-pyridin-4-ylethanol?

2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(1-oxidopyridin-1-ium-4-yl)ethanol;2-(10-methyl-4-oxido-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-4-ium-7-yl)-1-pyridin-4-ylethanol has a molecular weight of 1482.86 g/mol, XLogP of 13.57, 13 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9-fluoro-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanol;5-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-2-carboxamide;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-(1-oxidopyridin-1-ium-4-yl)ethanol;2-(10-methyl-4-oxido-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-4-ium-7-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 158445362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).