N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyrazin-2-ylethanamine;N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyrazin-2-ylpropan-2-amine;1-(4-fluorophenyl)-N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanamine;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanamine

C94H116FN17 — CID 157364071

About N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyrazin-2-ylethanamine;N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyrazin-2-ylpropan-2-amine;1-(4-fluorophenyl)-N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanamine;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanamine

N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyrazin-2-ylethanamine;N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyrazin-2-ylpropan-2-amine;1-(4-fluorophenyl)-N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanamine;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanamine (PubChem CID 157364071) has the molecular formula C94H116FN17 and a molecular weight of 1503.08 g/mol. Its IUPAC name is N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyrazin-2-ylethanamine;N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyrazin-2-ylpropan-2-amine;1-(4-fluorophenyl)-N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanamine;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyrazin-2-ylethanamine;N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyrazin-2-ylpropan-2-amine;1-(4-fluorophenyl)-N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanamine;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanamine
• PubChem CID: 157364071
• Molecular Formula: C94H116FN17
• Molecular Weight: 1503.08 g/mol
• Exact Mass: 1501.96
• IUPAC Name: N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyrazin-2-ylethanamine;N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyrazin-2-ylpropan-2-amine;1-(4-fluorophenyl)-N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanamine;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanamine
• SMILES: Cc1ccc2c(c1)c1c(n2CC(C)(c2cnccn2)N(C)C)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(N)c2ccncc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(c2ccc(F)cc2)N(C)C)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(c2cnccn2)N(C)C)CCN2CCCC12
• InChI: InChI=1S/C25H30FN3.C24H31N5.C23H29N5.C22H26N4/c1-17-6-11-21-20(15-17)25-22-5-4-13-28(22)14-12-23(25)29(21)16-24(27(2)3)18-7-9-19(26)10-8-18;1-17-7-8-19-18(14-17)23-20-6-5-12-28(20)13-9-21(23)29(19)16-24(2,27(3)4)22-15-25-10-11-26-22;1-16-6-7-19-17(13-16)23-20-5-4-11-27(20)12-8-21(23)28(19)15-22(26(2)3)18-14-24-9-10-25-18;1-15-4-5-19-17(13-15)22-20-3-2-11-25(20)12-8-21(22)26(19)14-18(23)16-6-9-24-10-7-16/h6-11,15,22,24H,4-5,12-14,16H2,1-3H3;7-8,10-11,14-15,20H,5-6,9,12-13,16H2,1-4H3;6-7,9-10,13-14,20,22H,4-5,8,11-12,15H2,1-3H3;4-7,9-10,13,18,20H,2-3,8,11-12,14,23H2,1H3
• InChIKey: BIYZPILXDGUCJM-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 132.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1503.08
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyrazin-2-ylethanamine;N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyrazin-2-ylpropan-2-amine;1-(4-fluorophenyl)-N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanamine;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanamine?

The IUPAC name of N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyrazin-2-ylethanamine;N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyrazin-2-ylpropan-2-amine;1-(4-fluorophenyl)-N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanamine;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanamine (CID 157364071) is N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyrazin-2-ylethanamine;N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyrazin-2-ylpropan-2-amine;1-(4-fluorophenyl)-N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanamine;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanamine.

What is the SMILES notation for N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyrazin-2-ylethanamine;N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyrazin-2-ylpropan-2-amine;1-(4-fluorophenyl)-N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanamine;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanamine?

The canonical SMILES for N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyrazin-2-ylethanamine;N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyrazin-2-ylpropan-2-amine;1-(4-fluorophenyl)-N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanamine;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanamine is Cc1ccc2c(c1)c1c(n2CC(C)(c2cnccn2)N(C)C)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(N)c2ccncc2)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(c2ccc(F)cc2)N(C)C)CCN2CCCC12.Cc1ccc2c(c1)c1c(n2CC(c2cnccn2)N(C)C)CCN2CCCC12.

What is the InChIKey of N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyrazin-2-ylethanamine;N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyrazin-2-ylpropan-2-amine;1-(4-fluorophenyl)-N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanamine;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanamine?

The InChIKey is BIYZPILXDGUCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3.C24H31N5.C23H29N5.C22H26N4/c1-17-6-11-21-20(15-17)25-22-5-4-13-28(22)14-12-23(25)29(21)16-24(27(2)3)18-7-9-19(26)10-8-18;1-17-7-8-19-18(14-17)23-20-6-5-12-28(20)13-9-21(23)29(19)16-24(2,27(3)4)22-15-25-10-11-26-22;1-16-6-7-19-17(13-16)23-20-5-4-11-27(20)12-8-21(23)28(19)15-22(26(2)3)18-14-24-9-10-25-18;1-15-4-5-19-17(13-15)22-20-3-2-11-25(20)12-8-21(22)26(19)14-18(23)16-6-9-24-10-7-16/h6-11,15,22,24H,4-5,12-14,16H2,1-3H3;7-8,10-11,14-15,20H,5-6,9,12-13,16H2,1-4H3;6-7,9-10,13-14,20,22H,4-5,8,11-12,15H2,1-3H3;4-7,9-10,13,18,20H,2-3,8,11-12,14,23H2,1H3.

What are the key properties of N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyrazin-2-ylethanamine;N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyrazin-2-ylpropan-2-amine;1-(4-fluorophenyl)-N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanamine;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanamine?

N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyrazin-2-ylethanamine;N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyrazin-2-ylpropan-2-amine;1-(4-fluorophenyl)-N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanamine;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanamine has a molecular weight of 1503.08 g/mol, XLogP of 16.47, 15 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyrazin-2-ylethanamine;N,N-dimethyl-1-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-2-pyrazin-2-ylpropan-2-amine;1-(4-fluorophenyl)-N,N-dimethyl-2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)ethanamine;2-(10-methyl-1,2,3,5,6,11c-hexahydroindolizino[7,8-b]indol-7-yl)-1-pyridin-4-ylethanamine is sourced from PubChem (CID 157364071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).