[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-3-methylbutanoate;[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate;10-methyl-12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

C100H124N16O4 — CID 158304224

About [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-3-methylbutanoate;[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate;10-methyl-12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-3-methylbutanoate;[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate;10-methyl-12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (PubChem CID 158304224) has the molecular formula C100H124N16O4 and a molecular weight of 1614.20 g/mol. Its IUPAC name is [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-3-methylbutanoate;[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate;10-methyl-12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

Molecular Properties

• Compound Name: [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-3-methylbutanoate;[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate;10-methyl-12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
• PubChem CID: 158304224
• Molecular Formula: C100H124N16O4
• Molecular Weight: 1614.20 g/mol
• Exact Mass: 1613.00
• IUPAC Name: [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-3-methylbutanoate;[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate;10-methyl-12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
• SMILES: Cc1cc(CC(C)(OC(=O)C(N)C(C)C)c2cccnc2)c2c(c1)c1c(n2C)CCN2CCCC12.Cc1cc(CC(C)(OC(=O)C(N)CC(C)C)c2cccnc2)c2c(c1)c1c(n2C)CCN2CCCC12.Cn1c2c(c3ccnc(CCc4ccncc4)c31)C1CCCN1CC2.c1cc(CCc2nccc3c4c([nH]c23)CCN2CCCC42)ccn1
• InChI: InChI=1S/C30H40N4O2.C29H38N4O2.C21H24N4.C20H22N4/c1-19(2)14-24(31)29(35)36-30(4,22-8-6-11-32-18-22)17-21-15-20(3)16-23-27-25(33(5)28(21)23)10-13-34-12-7-9-26(27)34;1-18(2)26(30)28(34)35-29(4,21-8-6-11-31-17-21)16-20-14-19(3)15-22-25-23(32(5)27(20)22)10-13-33-12-7-9-24(25)33;1-24-18-9-14-25-13-2-3-19(25)20(18)16-8-12-23-17(21(16)24)5-4-15-6-10-22-11-7-15;1-2-18-19-15-7-11-22-17(4-3-14-5-9-21-10-6-14)20(15)23-16(19)8-13-24(18)12-1/h6,8,11,15-16,18-19,24,26H,7,9-10,12-14,17,31H2,1-5H3;6,8,11,14-15,17-18,24,26H,7,9-10,12-13,16,30H2,1-5H3;6-8,10-12,19H,2-5,9,13-14H2,1H3;5-7,9-11,18,23H,1-4,8,12-13H2
• InChIKey: GMWMTEZZVRWPQT-UHFFFAOYSA-N
• XLogP: 16.39
• TPSA: 225.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1614.20
LogP ≤ 5	16.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-3-methylbutanoate;[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate;10-methyl-12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?

The IUPAC name of [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-3-methylbutanoate;[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate;10-methyl-12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (CID 158304224) is [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-3-methylbutanoate;[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate;10-methyl-12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

What is the SMILES notation for [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-3-methylbutanoate;[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate;10-methyl-12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?

The canonical SMILES for [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-3-methylbutanoate;[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate;10-methyl-12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is Cc1cc(CC(C)(OC(=O)C(N)C(C)C)c2cccnc2)c2c(c1)c1c(n2C)CCN2CCCC12.Cc1cc(CC(C)(OC(=O)C(N)CC(C)C)c2cccnc2)c2c(c1)c1c(n2C)CCN2CCCC12.Cn1c2c(c3ccnc(CCc4ccncc4)c31)C1CCCN1CC2.c1cc(CCc2nccc3c4c([nH]c23)CCN2CCCC42)ccn1.

What is the InChIKey of [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-3-methylbutanoate;[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate;10-methyl-12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?

The InChIKey is GMWMTEZZVRWPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O2.C29H38N4O2.C21H24N4.C20H22N4/c1-19(2)14-24(31)29(35)36-30(4,22-8-6-11-32-18-22)17-21-15-20(3)16-23-27-25(33(5)28(21)23)10-13-34-12-7-9-26(27)34;1-18(2)26(30)28(34)35-29(4,21-8-6-11-31-17-21)16-20-14-19(3)15-22-25-23(32(5)27(20)22)10-13-33-12-7-9-24(25)33;1-24-18-9-14-25-13-2-3-19(25)20(18)16-8-12-23-17(21(16)24)5-4-15-6-10-22-11-7-15;1-2-18-19-15-7-11-22-17(4-3-14-5-9-21-10-6-14)20(15)23-16(19)8-13-24(18)12-1/h6,8,11,15-16,18-19,24,26H,7,9-10,12-14,17,31H2,1-5H3;6,8,11,14-15,17-18,24,26H,7,9-10,12-13,16,30H2,1-5H3;6-8,10-12,19H,2-5,9,13-14H2,1H3;5-7,9-11,18,23H,1-4,8,12-13H2.

What are the key properties of [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-3-methylbutanoate;[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate;10-methyl-12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?

[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-3-methylbutanoate;[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate;10-methyl-12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene has a molecular weight of 1614.20 g/mol, XLogP of 16.39, 19 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-3-methylbutanoate;[1-(7,10-dimethyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-8-yl)-2-pyridin-3-ylpropan-2-yl] 2-amino-4-methylpentanoate;10-methyl-12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene;12-(2-pyridin-4-ylethyl)-6,10,13-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is sourced from PubChem (CID 158304224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).