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

C90H98ClF5N12O4 — CID 162248897

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

1-(7-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7,9-difluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol (PubChem CID 162248897) has the molecular formula C90H98ClF5N12O4 and a molecular weight of 1542.30 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-3-ylpropan-2-ol;1-(7,9-difluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-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-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7,9-difluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol
• PubChem CID: 162248897
• Molecular Formula: C90H98ClF5N12O4
• Molecular Weight: 1542.30 g/mol
• Exact Mass: 1540.74
• IUPAC Name: 1-(7-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7,9-difluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-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(Cl)cc(F)c31)CN1CCCC1C2)c1cccnc1.CC(O)(Cn1c2c(c3cc(F)cc(F)c31)CN1CCCC1C2)c1cccnc1.Cc1cc(F)c2c(c1)c1c(n2CC(C)(O)c2cccnc2)CC2CCCN2C1.Cc1cc(F)c2c(c1)c1c(n2CC(C)(O)c2ccncc2)CC2CCCN2C1
• InChI: InChI=1S/2C23H26FN3O.C22H23ClFN3O.C22H23F2N3O/c1-15-9-18-19-13-26-8-4-6-17(26)11-21(19)27(22(18)20(24)10-15)14-23(2,28)16-5-3-7-25-12-16;1-15-10-18-19-13-26-9-3-4-17(26)12-21(19)27(22(18)20(24)11-15)14-23(2,28)16-5-7-25-8-6-16;2*1-22(28,14-4-2-6-25-11-14)13-27-20-10-16-5-3-7-26(16)12-18(20)17-8-15(23)9-19(24)21(17)27/h3,5,7,9-10,12,17,28H,4,6,8,11,13-14H2,1-2H3;5-8,10-11,17,28H,3-4,9,12-14H2,1-2H3;2*2,4,6,8-9,11,16,28H,3,5,7,10,12-13H2,1H3
• InChIKey: ZXSGRNMYCGFUIV-UHFFFAOYSA-N
• XLogP: 15.82
• TPSA: 165.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1542.30
LogP ≤ 5	15.82
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-3-ylpropan-2-ol;1-(7,9-difluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-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-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7,9-difluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol (CID 162248897) is 1-(7-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7,9-difluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-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-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7,9-difluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-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-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7,9-difluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-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(Cl)cc(F)c31)CN1CCCC1C2)c1cccnc1.CC(O)(Cn1c2c(c3cc(F)cc(F)c31)CN1CCCC1C2)c1cccnc1.Cc1cc(F)c2c(c1)c1c(n2CC(C)(O)c2cccnc2)CC2CCCN2C1.Cc1cc(F)c2c(c1)c1c(n2CC(C)(O)c2ccncc2)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-3-ylpropan-2-ol;1-(7,9-difluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-4-ylpropan-2-ol?

The InChIKey is ZXSGRNMYCGFUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H26FN3O.C22H23ClFN3O.C22H23F2N3O/c1-15-9-18-19-13-26-8-4-6-17(26)11-21(19)27(22(18)20(24)10-15)14-23(2,28)16-5-3-7-25-12-16;1-15-10-18-19-13-26-9-3-4-17(26)12-21(19)27(22(18)20(24)11-15)14-23(2,28)16-5-7-25-8-6-16;2*1-22(28,14-4-2-6-25-11-14)13-27-20-10-16-5-3-7-26(16)12-18(20)17-8-15(23)9-19(24)21(17)27/h3,5,7,9-10,12,17,28H,4,6,8,11,13-14H2,1-2H3;5-8,10-11,17,28H,3-4,9,12-14H2,1-2H3;2*2,4,6,8-9,11,16,28H,3,5,7,10,12-13H2,1H3.

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

1-(7-chloro-9-fluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(7,9-difluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-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 1542.30 g/mol, XLogP of 15.82, 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-3-ylpropan-2-ol;1-(7,9-difluoro-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-2-pyridin-3-ylpropan-2-ol;1-(9-fluoro-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 162248897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).