2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-dimethoxyphenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine

C125H142F4N20O8 — CID 159086548

About 2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-dimethoxyphenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine

2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-dimethoxyphenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine (PubChem CID 159086548) has the molecular formula C125H142F4N20O8 and a molecular weight of 2128.63 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-dimethoxyphenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine.

Molecular Properties

• Compound Name: 2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-dimethoxyphenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine
• PubChem CID: 159086548
• Molecular Formula: C125H142F4N20O8
• Molecular Weight: 2128.63 g/mol
• Exact Mass: 2127.13
• IUPAC Name: 2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-dimethoxyphenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine
• SMILES: CNC1CCc2c(c3cc(Cc4ccc(F)c(F)c4)cnc3n2C)C1.CNC1CCc2c(c3cc(Cc4ccc(OC)c(OC)c4)cnc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc(F)c(F)c4)cc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc(OC)c(OC)c4)cc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc5c(c4)OCCO5)nc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc5c(c4)OCO5)nc3n2C)C1
• InChI: InChI=1S/2C22H27N3O2.C21H24N4O2.2C20H21F2N3.C20H22N4O2/c1-23-14-6-9-19-18(11-14)17-8-5-15(12-20(17)25(19)2)24-16-7-10-21(26-3)22(13-16)27-4;1-23-16-6-7-19-17(12-16)18-10-15(13-24-22(18)25(19)2)9-14-5-8-20(26-3)21(11-14)27-4;1-22-13-3-6-17-16(11-13)15-5-8-20(24-21(15)25(17)2)23-14-4-7-18-19(12-14)27-10-9-26-18;1-23-12-5-8-19-16(9-12)15-6-3-14(11-20(15)25(19)2)24-13-4-7-17(21)18(22)10-13;1-23-14-4-6-19-15(10-14)16-8-13(11-24-20(16)25(19)2)7-12-3-5-17(21)18(22)9-12;1-21-12-3-6-16-15(9-12)14-5-8-19(23-20(14)24(16)2)22-13-4-7-17-18(10-13)26-11-25-17/h5,7-8,10,12-14,23-24H,6,9,11H2,1-4H3;5,8,10-11,13,16,23H,6-7,9,12H2,1-4H3;4-5,7-8,12-13,22H,3,6,9-11H2,1-2H3,(H,23,24);3-4,6-7,10-12,23-24H,5,8-9H2,1-2H3;3,5,8-9,11,14,23H,4,6-7,10H2,1-2H3;4-5,7-8,10,12,21H,3,6,9,11H2,1-2H3,(H,22,23)
• InChIKey: KBMXOBJVVWCJAI-UHFFFAOYSA-N
• XLogP: 21.36
• TPSA: 275.28 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2128.63
LogP ≤ 5	21.36
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-dimethoxyphenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine?

The IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-dimethoxyphenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine (CID 159086548) is 2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-dimethoxyphenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine.

What is the SMILES notation for 2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-dimethoxyphenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine?

The canonical SMILES for 2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-dimethoxyphenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine is CNC1CCc2c(c3cc(Cc4ccc(F)c(F)c4)cnc3n2C)C1.CNC1CCc2c(c3cc(Cc4ccc(OC)c(OC)c4)cnc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc(F)c(F)c4)cc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc(OC)c(OC)c4)cc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc5c(c4)OCCO5)nc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc5c(c4)OCO5)nc3n2C)C1.

What is the InChIKey of 2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-dimethoxyphenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine?

The InChIKey is KBMXOBJVVWCJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H27N3O2.C21H24N4O2.2C20H21F2N3.C20H22N4O2/c1-23-14-6-9-19-18(11-14)17-8-5-15(12-20(17)25(19)2)24-16-7-10-21(26-3)22(13-16)27-4;1-23-16-6-7-19-17(12-16)18-10-15(13-24-22(18)25(19)2)9-14-5-8-20(26-3)21(11-14)27-4;1-22-13-3-6-17-16(11-13)15-5-8-20(24-21(15)25(17)2)23-14-4-7-18-19(12-14)27-10-9-26-18;1-23-12-5-8-19-16(9-12)15-6-3-14(11-20(15)25(19)2)24-13-4-7-17(21)18(22)10-13;1-23-14-4-6-19-15(10-14)16-8-13(11-24-20(16)25(19)2)7-12-3-5-17(21)18(22)9-12;1-21-12-3-6-16-15(9-12)14-5-8-19(23-20(14)24(16)2)22-13-4-7-17-18(10-13)26-11-25-17/h5,7-8,10,12-14,23-24H,6,9,11H2,1-4H3;5,8,10-11,13,16,23H,6-7,9,12H2,1-4H3;4-5,7-8,12-13,22H,3,6,9-11H2,1-2H3,(H,23,24);3-4,6-7,10-12,23-24H,5,8-9H2,1-2H3;3,5,8-9,11,14,23H,4,6-7,10H2,1-2H3;4-5,7-8,10,12,21H,3,6,9,11H2,1-2H3,(H,22,23).

What are the key properties of 2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-dimethoxyphenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine?

2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-dimethoxyphenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine has a molecular weight of 2128.63 g/mol, XLogP of 21.36, 22 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(1,3-benzodioxol-5-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(3,4-dimethoxyphenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;3-[(3,4-dimethoxyphenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine is sourced from PubChem (CID 159086548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).