1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol;1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol

C89H97Cl2F3N12O4 — CID 158460342

About 1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol;1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol

1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol;1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 158460342) has the molecular formula C89H97Cl2F3N12O4 and a molecular weight of 1526.73 g/mol. Its IUPAC name is 1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol;1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

• Compound Name: 1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol;1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol
• PubChem CID: 158460342
• Molecular Formula: C89H97Cl2F3N12O4
• Molecular Weight: 1526.73 g/mol
• Exact Mass: 1524.71
• IUPAC Name: 1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol;1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol
• SMILES: CC(O)(Cn1c2c(c3cc(Cl)cc(F)c31)C1CCCN1CC2)c1cccnc1.CC(O)(Cn1c2c(c3cc(Cl)cc(F)c31)C1CCCN1CC2)c1ccncc1.CC(O)(Cn1c2c(c3cc(F)ccc31)C1CCCN1CC2)c1cccnc1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN2CCCC12
• InChI: InChI=1S/C23H27N3O.2C22H23ClFN3O.C22H24FN3O/c1-16-7-8-19-18(13-16)22-20-6-4-11-25(20)12-9-21(22)26(19)15-23(2,27)17-5-3-10-24-14-17;1-22(28,14-4-2-7-25-12-14)13-27-19-6-9-26-8-3-5-18(26)20(19)16-10-15(23)11-17(24)21(16)27;1-22(28,14-4-7-25-8-5-14)13-27-19-6-10-26-9-2-3-18(26)20(19)16-11-15(23)12-17(24)21(16)27;1-22(27,15-4-2-9-24-13-15)14-26-18-7-6-16(23)12-17(18)21-19-5-3-10-25(19)11-8-20(21)26/h3,5,7-8,10,13-14,20,27H,4,6,9,11-12,15H2,1-2H3;2,4,7,10-12,18,28H,3,5-6,8-9,13H2,1H3;4-5,7-8,11-12,18,28H,2-3,6,9-10,13H2,1H3;2,4,6-7,9,12-13,19,27H,3,5,8,10-11,14H2,1H3
• InChIKey: HFCAIDGOMAVVPD-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 165.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1526.73
LogP ≤ 5	16.58
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-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol;1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol?

The IUPAC name of 1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol;1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol (CID 158460342) is 1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol;1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol.

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

The canonical SMILES for 1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol;1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol is CC(O)(Cn1c2c(c3cc(Cl)cc(F)c31)C1CCCN1CC2)c1cccnc1.CC(O)(Cn1c2c(c3cc(Cl)cc(F)c31)C1CCCN1CC2)c1ccncc1.CC(O)(Cn1c2c(c3cc(F)ccc31)C1CCCN1CC2)c1cccnc1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN2CCCC12.

What is the InChIKey of 1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol;1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol?

The InChIKey is HFCAIDGOMAVVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O.2C22H23ClFN3O.C22H24FN3O/c1-16-7-8-19-18(13-16)22-20-6-4-11-25(20)12-9-21(22)26(19)15-23(2,27)17-5-3-10-24-14-17;1-22(28,14-4-2-7-25-12-14)13-27-19-6-9-26-8-3-5-18(26)20(19)16-10-15(23)11-17(24)21(16)27;1-22(28,14-4-7-25-8-5-14)13-27-19-6-10-26-9-2-3-18(26)20(19)16-11-15(23)12-17(24)21(16)27;1-22(27,15-4-2-9-24-13-15)14-26-18-7-6-16(23)12-17(18)21-19-5-3-10-25(19)11-8-20(21)26/h3,5,7-8,10,13-14,20,27H,4,6,9,11-12,15H2,1-2H3;2,4,7,10-12,18,28H,3,5-6,8-9,13H2,1H3;4-5,7-8,11-12,18,28H,2-3,6,9-10,13H2,1H3;2,4,6-7,9,12-13,19,27H,3,5,8,10-11,14H2,1H3.

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

1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol;1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 1526.73 g/mol, XLogP of 16.58, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-chloro-8-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-4-ylpropan-2-ol;1-(10-fluoro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 158460342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).