1-(1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;2-[11-(hydroxymethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylpropan-1-ol;7-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole

C90H104N12O4 — CID 158146398

About 1-(1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;2-[11-(hydroxymethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylpropan-1-ol;7-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole

1-(1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;2-[11-(hydroxymethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylpropan-1-ol;7-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole (PubChem CID 158146398) has the molecular formula C90H104N12O4 and a molecular weight of 1417.90 g/mol. Its IUPAC name is 1-(1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;2-[11-(hydroxymethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylpropan-1-ol;7-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole.

Molecular Properties

• Compound Name: 1-(1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;2-[11-(hydroxymethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylpropan-1-ol;7-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole
• PubChem CID: 158146398
• Molecular Formula: C90H104N12O4
• Molecular Weight: 1417.90 g/mol
• Exact Mass: 1416.83
• IUPAC Name: 1-(1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;2-[11-(hydroxymethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylpropan-1-ol;7-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole
• SMILES: CC(O)(Cn1c2c(c3ccccc31)C1CCCN1CC2)c1cccnc1.Cc1ccc(CCn2c3c(c4ccccc42)C2CCCN2CC3)cn1.Cc1ccc2c(c1)c1c(n2C(C)C(O)c2ccncc2)CCN2CCCC12.Cc1ccc2c(c1CO)c1c(n2CC(O)c2ccncc2)CCN2CCCC12
• InChI: InChI=1S/C23H27N3O2.C23H27N3O.C22H25N3O.C22H25N3/c1-15-4-5-19-22(17(15)14-27)23-18-3-2-11-25(18)12-8-20(23)26(19)13-21(28)16-6-9-24-10-7-16;1-15-5-6-19-18(14-15)22-20-4-3-12-25(20)13-9-21(22)26(19)16(2)23(27)17-7-10-24-11-8-17;1-22(26,16-6-4-11-23-14-16)15-25-18-8-3-2-7-17(18)21-19-9-5-12-24(19)13-10-20(21)25;1-16-8-9-17(15-23-16)10-14-25-19-6-3-2-5-18(19)22-20-7-4-12-24(20)13-11-21(22)25/h4-7,9-10,18,21,27-28H,2-3,8,11-14H2,1H3;5-8,10-11,14,16,20,23,27H,3-4,9,12-13H2,1-2H3;2-4,6-8,11,14,19,26H,5,9-10,12-13,15H2,1H3;2-3,5-6,8-9,15,20H,4,7,10-14H2,1H3
• InChIKey: FUOKOQXCJKOIDW-UHFFFAOYSA-N
• XLogP: 15.51
• TPSA: 165.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1417.90
LogP ≤ 5	15.51
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-(1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;2-[11-(hydroxymethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylpropan-1-ol;7-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole?

The IUPAC name of 1-(1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;2-[11-(hydroxymethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylpropan-1-ol;7-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole (CID 158146398) is 1-(1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;2-[11-(hydroxymethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylpropan-1-ol;7-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole.

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

The canonical SMILES for 1-(1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;2-[11-(hydroxymethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylpropan-1-ol;7-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole is CC(O)(Cn1c2c(c3ccccc31)C1CCCN1CC2)c1cccnc1.Cc1ccc(CCn2c3c(c4ccccc42)C2CCCN2CC3)cn1.Cc1ccc2c(c1)c1c(n2C(C)C(O)c2ccncc2)CCN2CCCC12.Cc1ccc2c(c1CO)c1c(n2CC(O)c2ccncc2)CCN2CCCC12.

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

The InChIKey is FUOKOQXCJKOIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2.C23H27N3O.C22H25N3O.C22H25N3/c1-15-4-5-19-22(17(15)14-27)23-18-3-2-11-25(18)12-8-20(23)26(19)13-21(28)16-6-9-24-10-7-16;1-15-5-6-19-18(14-15)22-20-4-3-12-25(20)13-9-21(22)26(19)16(2)23(27)17-7-10-24-11-8-17;1-22(26,16-6-4-11-23-14-16)15-25-18-8-3-2-7-17(18)21-19-9-5-12-24(19)13-10-20(21)25;1-16-8-9-17(15-23-16)10-14-25-19-6-3-2-5-18(19)22-20-7-4-12-24(20)13-11-21(22)25/h4-7,9-10,18,21,27-28H,2-3,8,11-14H2,1H3;5-8,10-11,14,16,20,23,27H,3-4,9,12-13H2,1-2H3;2-4,6-8,11,14,19,26H,5,9-10,12-13,15H2,1H3;2-3,5-6,8-9,15,20H,4,7,10-14H2,1H3.

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

1-(1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;2-[11-(hydroxymethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylpropan-1-ol;7-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole has a molecular weight of 1417.90 g/mol, XLogP of 15.51, 13 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyridin-3-ylpropan-2-ol;2-[11-(hydroxymethyl)-10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl]-1-pyridin-4-ylethanol;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylpropan-1-ol;7-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indole is sourced from PubChem (CID 158146398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).