2-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol;1-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;2-(14-methyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol

C91H106N12O4 — CID 158026864

About 2-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol;1-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;2-(14-methyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol

2-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol;1-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;2-(14-methyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol (PubChem CID 158026864) has the molecular formula C91H106N12O4 and a molecular weight of 1431.93 g/mol. Its IUPAC name is 2-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol;1-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;2-(14-methyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol.

Molecular Properties

• Compound Name: 2-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol;1-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;2-(14-methyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol
• PubChem CID: 158026864
• Molecular Formula: C91H106N12O4
• Molecular Weight: 1431.93 g/mol
• Exact Mass: 1430.85
• IUPAC Name: 2-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol;1-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;2-(14-methyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol
• SMILES: Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CN(C)C2CCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2ccccn2)CC2CCCN2C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CN(C)C2CCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CNC2CCCC12
• InChI: InChI=1S/C24H29N3O.C23H27N3O.2C22H25N3O/c1-16-9-10-21-19(12-16)23-18-7-4-8-20(18)26(3)14-22(23)27(21)15-24(2,28)17-6-5-11-25-13-17;1-15-6-7-20-18(12-15)23-17-4-3-5-19(17)25(2)13-21(23)26(20)14-22(27)16-8-10-24-11-9-16;1-15-7-8-20-17(11-15)18-13-24-10-4-5-16(24)12-21(18)25(20)14-22(26)19-6-2-3-9-23-19;1-14-5-6-19-17(11-14)22-16-3-2-4-18(16)24-12-20(22)25(19)13-21(26)15-7-9-23-10-8-15/h5-6,9-13,18,20,28H,4,7-8,14-15H2,1-3H3;6-12,17,19,22,27H,3-5,13-14H2,1-2H3;2-3,6-9,11,16,22,26H,4-5,10,12-14H2,1H3;5-11,16,18,21,24,26H,2-4,12-13H2,1H3
• InChIKey: FGRZGKQQUHYXSD-UHFFFAOYSA-N
• XLogP: 15.91
• TPSA: 173.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1431.93
LogP ≤ 5	15.91
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 2-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol;1-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;2-(14-methyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol?

The IUPAC name of 2-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol;1-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;2-(14-methyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol (CID 158026864) is 2-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol;1-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;2-(14-methyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol.

What is the SMILES notation for 2-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol;1-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;2-(14-methyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol?

The canonical SMILES for 2-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol;1-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;2-(14-methyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol is Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CN(C)C2CCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2ccccn2)CC2CCCN2C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CN(C)C2CCCC12.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CNC2CCCC12.

What is the InChIKey of 2-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol;1-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;2-(14-methyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol?

The InChIKey is FGRZGKQQUHYXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O.C23H27N3O.2C22H25N3O/c1-16-9-10-21-19(12-16)23-18-7-4-8-20(18)26(3)14-22(23)27(21)15-24(2,28)17-6-5-11-25-13-17;1-15-6-7-20-18(12-15)23-17-4-3-5-19(17)25(2)13-21(23)26(20)14-22(27)16-8-10-24-11-9-16;1-15-7-8-20-17(11-15)18-13-24-10-4-5-16(24)12-21(18)25(20)14-22(26)19-6-2-3-9-23-19;1-14-5-6-19-17(11-14)22-16-3-2-4-18(16)24-12-20(22)25(19)13-21(26)15-7-9-23-10-8-15/h5-6,9-13,18,20,28H,4,7-8,14-15H2,1-3H3;6-12,17,19,22,27H,3-5,13-14H2,1-2H3;2-3,6-9,11,16,22,26H,4-5,10,12-14H2,1H3;5-11,16,18,21,24,26H,2-4,12-13H2,1H3.

What are the key properties of 2-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol;1-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;2-(14-methyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol?

2-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol;1-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;2-(14-methyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol has a molecular weight of 1431.93 g/mol, XLogP of 15.91, 12 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol;1-(7,14-dimethyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol;2-(7-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-10-yl)-1-pyridin-2-ylethanol;2-(14-methyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 158026864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).