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

C91H105ClN12O4 — CID 157451651

About 1-(10-chloro-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-(6-methyl-3-pyridinyl)propan-2-ol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-3-ylethanol;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-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-(6-methyl-3-pyridinyl)propan-2-ol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-3-ylethanol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 157451651) has the molecular formula C91H105ClN12O4 and a molecular weight of 1466.37 g/mol. Its IUPAC name is 1-(10-chloro-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-(6-methyl-3-pyridinyl)propan-2-ol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-3-ylethanol;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-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-(6-methyl-3-pyridinyl)propan-2-ol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-3-ylethanol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol
• PubChem CID: 157451651
• Molecular Formula: C91H105ClN12O4
• Molecular Weight: 1466.37 g/mol
• Exact Mass: 1464.81
• IUPAC Name: 1-(10-chloro-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-(6-methyl-3-pyridinyl)propan-2-ol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-3-ylethanol;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)ccc31)C1CCCN1CC2)c1cccnc1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C)nc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)CCN2CCCC12
• InChI: InChI=1S/C24H29N3O.C23H27N3O.C22H24ClN3O.C22H25N3O/c1-16-6-9-20-19(13-16)23-21-5-4-11-26(21)12-10-22(23)27(20)15-24(3,28)18-8-7-17(2)25-14-18;1-16-7-8-19-18(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(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;1-15-6-7-18-17(12-15)22-19-5-3-10-24(19)11-8-20(22)25(18)14-21(26)16-4-2-9-23-13-16/h6-9,13-14,21,28H,4-5,10-12,15H2,1-3H3;3,5,7-8,10,13-14,20,27H,4,6,9,11-12,15H2,1-2H3;2,4,6-7,9,12-13,19,27H,3,5,8,10-11,14H2,1H3;2,4,6-7,9,12-13,19,21,26H,3,5,8,10-11,14H2,1H3
• InChIKey: BSWHLTMLAYFXHI-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 165.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1466.37
LogP ≤ 5	16.26
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-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-(6-methyl-3-pyridinyl)propan-2-ol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-3-ylethanol;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-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-(6-methyl-3-pyridinyl)propan-2-ol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-3-ylethanol;1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol (CID 157451651) is 1-(10-chloro-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-(6-methyl-3-pyridinyl)propan-2-ol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-3-ylethanol;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-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-(6-methyl-3-pyridinyl)propan-2-ol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-3-ylethanol;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-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-(6-methyl-3-pyridinyl)propan-2-ol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-3-ylethanol;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)ccc31)C1CCCN1CC2)c1cccnc1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C)nc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)CCN2CCCC12.

What is the InChIKey of 1-(10-chloro-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-(6-methyl-3-pyridinyl)propan-2-ol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-3-ylethanol;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 BSWHLTMLAYFXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O.C23H27N3O.C22H24ClN3O.C22H25N3O/c1-16-6-9-20-19(13-16)23-21-5-4-11-26(21)12-10-22(23)27(20)15-24(3,28)18-8-7-17(2)25-14-18;1-16-7-8-19-18(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(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;1-15-6-7-18-17(12-15)22-19-5-3-10-24(19)11-8-20(22)25(18)14-21(26)16-4-2-9-23-13-16/h6-9,13-14,21,28H,4-5,10-12,15H2,1-3H3;3,5,7-8,10,13-14,20,27H,4,6,9,11-12,15H2,1-2H3;2,4,6-7,9,12-13,19,27H,3,5,8,10-11,14H2,1H3;2,4,6-7,9,12-13,19,21,26H,3,5,8,10-11,14H2,1H3.

What are the key properties of 1-(10-chloro-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-(6-methyl-3-pyridinyl)propan-2-ol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-3-ylethanol;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-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-(6-methyl-3-pyridinyl)propan-2-ol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-3-ylethanol;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 1466.37 g/mol, XLogP of 16.26, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(10-chloro-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-(6-methyl-3-pyridinyl)propan-2-ol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-3-ylethanol;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 157451651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).