1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;bis(1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one)

C78H77N11O4 — CID 157201024

About 1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;bis(1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one)

1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;bis(1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one) (PubChem CID 157201024) has the molecular formula C78H77N11O4 and a molecular weight of 1232.55 g/mol. Its IUPAC name is 1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;bis(1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one).

Molecular Properties

• Compound Name: 1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;bis(1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one)
• PubChem CID: 157201024
• Molecular Formula: C78H77N11O4
• Molecular Weight: 1232.55 g/mol
• Exact Mass: 1231.62
• IUPAC Name: 1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;bis(1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one)
• SMILES: Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCN3CCCC53)c(=O)c2)cn1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCN3CCCC53)c(=O)c2)cn1.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCCN1C3
• InChI: InChI=1S/2C26H26N4O.C26H25N3O2/c2*1-17-5-6-19(16-27-17)18-9-13-30(25(31)14-18)20-7-8-21-24(15-20)28(2)22-10-12-29-11-3-4-23(29)26(21)22;30-26-15-21(31-17-18-5-2-1-3-6-18)10-12-29(26)20-8-9-22-23-16-28-11-4-7-19(28)13-25(23)27-24(22)14-20/h2*5-9,13-16,23H,3-4,10-12H2,1-2H3;1-3,5-6,8-10,12,14-15,19,27H,4,7,11,13,16-17H2
• InChIKey: AQUJLWFQWYEKBE-UHFFFAOYSA-N
• XLogP: 13.20
• TPSA: 136.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1232.55
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;bis(1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one)?

The IUPAC name of 1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;bis(1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one) (CID 157201024) is 1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;bis(1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one).

What is the SMILES notation for 1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;bis(1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one)?

The canonical SMILES for 1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;bis(1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one) is Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCN3CCCC53)c(=O)c2)cn1.Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCN3CCCC53)c(=O)c2)cn1.O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCCN1C3.

What is the InChIKey of 1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;bis(1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one)?

The InChIKey is AQUJLWFQWYEKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H26N4O.C26H25N3O2/c2*1-17-5-6-19(16-27-17)18-9-13-30(25(31)14-18)20-7-8-21-24(15-20)28(2)22-10-12-29-11-3-4-23(29)26(21)22;30-26-15-21(31-17-18-5-2-1-3-6-18)10-12-29(26)20-8-9-22-23-16-28-11-4-7-19(28)13-25(23)27-24(22)14-20/h2*5-9,13-16,23H,3-4,10-12H2,1-2H3;1-3,5-6,8-10,12,14-15,19,27H,4,7,11,13,16-17H2.

What are the key properties of 1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;bis(1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one)?

1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;bis(1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one) has a molecular weight of 1232.55 g/mol, XLogP of 13.20, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-phenylmethoxypyridin-2-one;bis(1-(7-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-9-yl)-4-(6-methyl-3-pyridinyl)pyridin-2-one) is sourced from PubChem (CID 157201024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).