1-(7-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;1-(7-fluoro-9-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-3-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol

C90H101ClF2N12O4 — CID 157295368

About 1-(7-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;1-(7-fluoro-9-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-3-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-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;1-(7-fluoro-9-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-3-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 157295368) has the molecular formula C90H101ClF2N12O4 and a molecular weight of 1488.33 g/mol. Its IUPAC name is 1-(7-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;1-(7-fluoro-9-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-3-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

• Compound Name: 1-(7-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;1-(7-fluoro-9-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-3-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol
• PubChem CID: 157295368
• Molecular Formula: C90H101ClF2N12O4
• Molecular Weight: 1488.33 g/mol
• Exact Mass: 1486.77
• IUPAC Name: 1-(7-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;1-(7-fluoro-9-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-3-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol
• SMILES: CC(O)(Cn1c2c(c3cc(Cl)cc(F)c31)CN1CCCC1C2)c1ccncc1.Cc1cc(F)cc2c3c(n(CC(C)(O)c4ccncc4)c12)CC1CCCN1C3.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CC2CCCN2C1.Cc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)CC2CCCN2C1
• InChI: InChI=1S/C23H26FN3O.C23H27N3O.C22H23ClFN3O.C22H25N3O/c1-15-10-17(24)11-19-20-13-26-9-3-4-18(26)12-21(20)27(22(15)19)14-23(2,28)16-5-7-25-8-6-16;1-16-7-8-21-19(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;1-22(28,14-4-6-25-7-5-14)13-27-20-11-16-3-2-8-26(16)12-18(20)17-9-15(23)10-19(24)21(17)27;1-15-6-7-20-18(10-15)19-13-24-9-3-5-17(24)11-21(19)25(20)14-22(26)16-4-2-8-23-12-16/h5-8,10-11,18,28H,3-4,9,12-14H2,1-2H3;3,5,7-9,11,13,18,27H,4,6,10,12,14-15H2,1-2H3;4-7,9-10,16,28H,2-3,8,11-13H2,1H3;2,4,6-8,10,12,17,22,26H,3,5,9,11,13-14H2,1H3
• InChIKey: BBHAMACZSMDZIQ-UHFFFAOYSA-N
• XLogP: 15.54
• TPSA: 165.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1488.33
LogP ≤ 5	15.54
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-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;1-(7-fluoro-9-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-3-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol?

The IUPAC name of 1-(7-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;1-(7-fluoro-9-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-3-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol (CID 157295368) is 1-(7-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;1-(7-fluoro-9-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-3-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol.

What is the SMILES notation for 1-(7-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;1-(7-fluoro-9-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-3-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol?

The canonical SMILES for 1-(7-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;1-(7-fluoro-9-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-3-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol is CC(O)(Cn1c2c(c3cc(Cl)cc(F)c31)CN1CCCC1C2)c1ccncc1.Cc1cc(F)cc2c3c(n(CC(C)(O)c4ccncc4)c12)CC1CCCN1C3.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CC2CCCN2C1.Cc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)CC2CCCN2C1.

What is the InChIKey of 1-(7-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;1-(7-fluoro-9-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-3-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol?

The InChIKey is BBHAMACZSMDZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O.C23H27N3O.C22H23ClFN3O.C22H25N3O/c1-15-10-17(24)11-19-20-13-26-9-3-4-18(26)12-21(20)27(22(15)19)14-23(2,28)16-5-7-25-8-6-16;1-16-7-8-21-19(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;1-22(28,14-4-6-25-7-5-14)13-27-20-11-16-3-2-8-26(16)12-18(20)17-9-15(23)10-19(24)21(17)27;1-15-6-7-20-18(10-15)19-13-24-9-3-5-17(24)11-21(19)25(20)14-22(26)16-4-2-8-23-12-16/h5-8,10-11,18,28H,3-4,9,12-14H2,1-2H3;3,5,7-9,11,13,18,27H,4,6,10,12,14-15H2,1-2H3;4-7,9-10,16,28H,2-3,8,11-13H2,1H3;2,4,6-8,10,12,17,22,26H,3,5,9,11,13-14H2,1H3.

What are the key properties of 1-(7-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;1-(7-fluoro-9-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-3-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-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;1-(7-fluoro-9-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-3-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 1488.33 g/mol, XLogP of 15.54, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;1-(7-fluoro-9-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-3-ylethanol;1-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 157295368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).