1-(10-chloro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]-1H-pyridin-2-one;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

C91H105ClN12O5 — CID 161325064

About 1-(10-chloro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]-1H-pyridin-2-one;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-chloro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]-1H-pyridin-2-one;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 (PubChem CID 161325064) has the molecular formula C91H105ClN12O5 and a molecular weight of 1482.37 g/mol. Its IUPAC name is 1-(10-chloro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]-1H-pyridin-2-one;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.

Molecular Properties

• Compound Name: 1-(10-chloro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]-1H-pyridin-2-one;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
• PubChem CID: 161325064
• Molecular Formula: C91H105ClN12O5
• Molecular Weight: 1482.37 g/mol
• Exact Mass: 1480.80
• IUPAC Name: 1-(10-chloro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]-1H-pyridin-2-one;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
• SMILES: Cc1ccc(C(C)(O)Cn2c3c(c4cc(Cl)ccc42)C2CCCN2CC3)cn1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C)nc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2cc[nH]c(=O)c2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)CCN2CCCC12
• InChI: InChI=1S/C24H29N3O.C23H26ClN3O.C22H25N3O2.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;1-15-5-6-16(13-25-15)23(2,28)14-27-19-8-7-17(24)12-18(19)22-20-4-3-10-26(20)11-9-21(22)27;1-14-4-5-17-16(11-14)22-18-3-2-9-24(18)10-7-19(22)25(17)13-20(26)15-6-8-23-21(27)12-15;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;5-8,12-13,20,28H,3-4,9-11,14H2,1-2H3;4-6,8,11-12,18,20,26H,2-3,7,9-10,13H2,1H3,(H,23,27);2,4,6-7,9,12-13,19,21,26H,3,5,8,10-11,14H2,1H3
• InChIKey: VKQROTNHTGHMMC-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 185.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1482.37
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	5
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-(6-methyl-3-pyridinyl)propan-2-ol;4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]-1H-pyridin-2-one;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?

The IUPAC name of 1-(10-chloro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]-1H-pyridin-2-one;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 (CID 161325064) is 1-(10-chloro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]-1H-pyridin-2-one;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.

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

The canonical SMILES for 1-(10-chloro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]-1H-pyridin-2-one;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 is Cc1ccc(C(C)(O)Cn2c3c(c4cc(Cl)ccc42)C2CCCN2CC3)cn1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C)nc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2cc[nH]c(=O)c2)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-(6-methyl-3-pyridinyl)propan-2-ol;4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]-1H-pyridin-2-one;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?

The InChIKey is VKQROTNHTGHMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O.C23H26ClN3O.C22H25N3O2.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;1-15-5-6-16(13-25-15)23(2,28)14-27-19-8-7-17(24)12-18(19)22-20-4-3-10-26(20)11-9-21(22)27;1-14-4-5-17-16(11-14)22-18-3-2-9-24(18)10-7-19(22)25(17)13-20(26)15-6-8-23-21(27)12-15;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;5-8,12-13,20,28H,3-4,9-11,14H2,1-2H3;4-6,8,11-12,18,20,26H,2-3,7,9-10,13H2,1H3,(H,23,27);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-(6-methyl-3-pyridinyl)propan-2-ol;4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]-1H-pyridin-2-one;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-chloro-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]-1H-pyridin-2-one;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 has a molecular weight of 1482.37 g/mol, XLogP of 15.69, 12 rotatable bonds, 5 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-(6-methyl-3-pyridinyl)propan-2-ol;4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]-1H-pyridin-2-one;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 is sourced from PubChem (CID 161325064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).