4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-3-carboxylic acid;2-(11-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-8-yl)-1-pyridin-4-ylethanol;1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;4,6,6-trimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene

C89H104N14O5 — CID 160796263

About 4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-3-carboxylic acid;2-(11-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-8-yl)-1-pyridin-4-ylethanol;1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;4,6,6-trimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene

4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-3-carboxylic acid;2-(11-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-8-yl)-1-pyridin-4-ylethanol;1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;4,6,6-trimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene (PubChem CID 160796263) has the molecular formula C89H104N14O5 and a molecular weight of 1449.90 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-3-carboxylic acid;2-(11-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-8-yl)-1-pyridin-4-ylethanol;1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;4,6,6-trimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene.

Molecular Properties

• Compound Name: 4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-3-carboxylic acid;2-(11-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-8-yl)-1-pyridin-4-ylethanol;1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;4,6,6-trimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
• PubChem CID: 160796263
• Molecular Formula: C89H104N14O5
• Molecular Weight: 1449.90 g/mol
• Exact Mass: 1448.83
• IUPAC Name: 4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-3-carboxylic acid;2-(11-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-8-yl)-1-pyridin-4-ylethanol;1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;4,6,6-trimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
• SMILES: Cc1ccc(CCn2c3c(c4cccnc42)CN(C)CC3(C)C)cn1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CCN2CCCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2C(=O)O)CCN2CCCC12.Cc1cnc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN2CCCC12
• InChI: InChI=1S/C23H25N3O3.C23H27N3O.C22H26N4O.C21H26N4/c1-14-4-5-18-16(11-14)22-19-3-2-9-25(19)10-7-20(22)26(18)13-21(27)15-6-8-24-12-17(15)23(28)29;1-16-5-6-19-18(14-16)23-20-4-2-3-12-25(20)13-9-21(23)26(19)15-22(27)17-7-10-24-11-8-17;1-15-11-17-20-18-6-4-9-25(18)10-7-19(20)26(21(17)24-12-15)14-22(2,27)16-5-3-8-23-13-16;1-15-7-8-16(12-23-15)9-11-25-19-18(13-24(4)14-21(19,2)3)17-6-5-10-22-20(17)25/h4-6,8,11-12,19,21,27H,2-3,7,9-10,13H2,1H3,(H,28,29);5-8,10-11,14,20,22,27H,2-4,9,12-13,15H2,1H3;3,5,8,11-13,18,27H,4,6-7,9-10,14H2,1-2H3;5-8,10,12H,9,11,13-14H2,1-4H3
• InChIKey: SCMFWGNSDXQSGZ-UHFFFAOYSA-N
• XLogP: 14.68
• TPSA: 208.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1449.90
LogP ≤ 5	14.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-3-carboxylic acid;2-(11-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-8-yl)-1-pyridin-4-ylethanol;1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;4,6,6-trimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene?

The IUPAC name of 4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-3-carboxylic acid;2-(11-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-8-yl)-1-pyridin-4-ylethanol;1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;4,6,6-trimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene (CID 160796263) is 4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-3-carboxylic acid;2-(11-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-8-yl)-1-pyridin-4-ylethanol;1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;4,6,6-trimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene.

What is the SMILES notation for 4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-3-carboxylic acid;2-(11-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-8-yl)-1-pyridin-4-ylethanol;1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;4,6,6-trimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene?

The canonical SMILES for 4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-3-carboxylic acid;2-(11-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-8-yl)-1-pyridin-4-ylethanol;1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;4,6,6-trimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene is Cc1ccc(CCn2c3c(c4cccnc42)CN(C)CC3(C)C)cn1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CCN2CCCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2C(=O)O)CCN2CCCC12.Cc1cnc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCN2CCCC12.

What is the InChIKey of 4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-3-carboxylic acid;2-(11-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-8-yl)-1-pyridin-4-ylethanol;1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;4,6,6-trimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene?

The InChIKey is SCMFWGNSDXQSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3.C23H27N3O.C22H26N4O.C21H26N4/c1-14-4-5-18-16(11-14)22-19-3-2-9-25(19)10-7-20(22)26(18)13-21(27)15-6-8-24-12-17(15)23(28)29;1-16-5-6-19-18(14-16)23-20-4-2-3-12-25(20)13-9-21(23)26(19)15-22(27)17-7-10-24-11-8-17;1-15-11-17-20-18-6-4-9-25(18)10-7-19(20)26(21(17)24-12-15)14-22(2,27)16-5-3-8-23-13-16;1-15-7-8-16(12-23-15)9-11-25-19-18(13-24(4)14-21(19,2)3)17-6-5-10-22-20(17)25/h4-6,8,11-12,19,21,27H,2-3,7,9-10,13H2,1H3,(H,28,29);5-8,10-11,14,20,22,27H,2-4,9,12-13,15H2,1H3;3,5,8,11-13,18,27H,4,6-7,9-10,14H2,1-2H3;5-8,10,12H,9,11,13-14H2,1-4H3.

What are the key properties of 4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-3-carboxylic acid;2-(11-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-8-yl)-1-pyridin-4-ylethanol;1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;4,6,6-trimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene?

4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-3-carboxylic acid;2-(11-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-8-yl)-1-pyridin-4-ylethanol;1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;4,6,6-trimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene has a molecular weight of 1449.90 g/mol, XLogP of 14.68, 13 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-hydroxy-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethyl]pyridine-3-carboxylic acid;2-(11-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-8-yl)-1-pyridin-4-ylethanol;1-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;4,6,6-trimethyl-8-[2-(6-methyl-3-pyridinyl)ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene is sourced from PubChem (CID 160796263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).