1-(7-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol

C90H103FN12O4 — CID 157177890

About 1-(7-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol

1-(7-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol (PubChem CID 157177890) has the molecular formula C90H103FN12O4 and a molecular weight of 1435.89 g/mol. Its IUPAC name is 1-(7-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol.

Molecular Properties

• Compound Name: 1-(7-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol
• PubChem CID: 157177890
• Molecular Formula: C90H103FN12O4
• Molecular Weight: 1435.89 g/mol
• Exact Mass: 1434.82
• IUPAC Name: 1-(7-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol
• SMILES: CC(O)(Cn1c2c(c3cc(F)ccc31)CN1CCCC1C2)c1cccnc1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CC2CCCN2C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccncc2)CC2CCCN2C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccccn2)CC2CCCN2C1
• InChI: InChI=1S/2C23H27N3O.C22H24FN3O.C22H25N3O/c1-16-7-8-21-19(11-16)20-14-25-10-4-6-18(25)12-22(20)26(21)15-23(2,27)17-5-3-9-24-13-17;1-16-5-6-21-19(12-16)20-14-25-11-3-4-18(25)13-22(20)26(21)15-23(2,27)17-7-9-24-10-8-17;1-22(27,15-4-2-8-24-12-15)14-26-20-7-6-16(23)10-18(20)19-13-25-9-3-5-17(25)11-21(19)26;1-15-7-8-20-17(11-15)18-13-24-10-4-5-16(24)12-21(18)25(20)14-22(26)19-6-2-3-9-23-19/h3,5,7-9,11,13,18,27H,4,6,10,12,14-15H2,1-2H3;5-10,12,18,27H,3-4,11,13-15H2,1-2H3;2,4,6-8,10,12,17,27H,3,5,9,11,13-14H2,1H3;2-3,6-9,11,16,22,26H,4-5,10,12-14H2,1H3
• InChIKey: AOFQDQYUVLAKQC-UHFFFAOYSA-N
• XLogP: 14.75
• TPSA: 165.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1435.89
LogP ≤ 5	14.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol?

The IUPAC name of 1-(7-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol (CID 157177890) is 1-(7-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol.

What is the SMILES notation for 1-(7-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol?

The canonical SMILES for 1-(7-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol is CC(O)(Cn1c2c(c3cc(F)ccc31)CN1CCCC1C2)c1cccnc1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CC2CCCN2C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccncc2)CC2CCCN2C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccccn2)CC2CCCN2C1.

What is the InChIKey of 1-(7-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol?

The InChIKey is AOFQDQYUVLAKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H27N3O.C22H24FN3O.C22H25N3O/c1-16-7-8-21-19(11-16)20-14-25-10-4-6-18(25)12-22(20)26(21)15-23(2,27)17-5-3-9-24-13-17;1-16-5-6-21-19(12-16)20-14-25-11-3-4-18(25)13-22(20)26(21)15-23(2,27)17-7-9-24-10-8-17;1-22(27,15-4-2-8-24-12-15)14-26-20-7-6-16(23)10-18(20)19-13-25-9-3-5-17(25)11-21(19)26;1-15-7-8-20-17(11-15)18-13-24-10-4-5-16(24)12-21(18)25(20)14-22(26)19-6-2-3-9-23-19/h3,5,7-9,11,13,18,27H,4,6,10,12,14-15H2,1-2H3;5-10,12,18,27H,3-4,11,13-15H2,1-2H3;2,4,6-8,10,12,17,27H,3,5,9,11,13-14H2,1H3;2-3,6-9,11,16,22,26H,4-5,10,12-14H2,1H3.

What are the key properties of 1-(7-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol?

1-(7-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol has a molecular weight of 1435.89 g/mol, XLogP of 14.75, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 157177890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).