N-(1,3-benzodioxol-5-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine

C128H144F6N20O5 — CID 159841155

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

N-(1,3-benzodioxol-5-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine (PubChem CID 159841155) has the molecular formula C128H144F6N20O5 and a molecular weight of 2156.68 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine
• PubChem CID: 159841155
• Molecular Formula: C128H144F6N20O5
• Molecular Weight: 2156.68 g/mol
• Exact Mass: 2155.15
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine
• SMILES: CN1CCC(c2c[nH]c3cc(Nc4ccc5c(c4)OCO5)ccc23)CC1.CN1CCc2ccc(Nc3ccc4c(C5CCCCC5)cn(C)c4n3)cc2C1.CNC1CCc2c(c3ccc(Nc4ccc(F)c(F)c4)cc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc5c(c4)OCCO5)cc3n2C)C1.COCCNC1CCc2c(c3ccc(Nc4ccc(F)c(F)c4)nc3n2C)C1.Cn1cc(C2CCCCC2)c2ccc(Nc3ccc(F)c(F)c3)nc21
• InChI: InChI=1S/C24H30N4.C22H25N3O2.C21H24F2N4O.C21H23N3O2.2C20H21F2N3/c1-27-13-12-17-8-9-20(14-19(17)15-27)25-23-11-10-21-22(16-28(2)24(21)26-23)18-6-4-3-5-7-18;1-23-14-4-7-19-18(11-14)17-6-3-15(12-20(17)25(19)2)24-16-5-8-21-22(13-16)27-10-9-26-21;1-27-19-7-4-13(24-9-10-28-2)11-16(19)15-5-8-20(26-21(15)27)25-14-3-6-17(22)18(23)12-14;1-24-8-6-14(7-9-24)18-12-22-19-10-15(2-4-17(18)19)23-16-3-5-20-21(11-16)26-13-25-20;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;1-25-12-16(13-5-3-2-4-6-13)15-8-10-19(24-20(15)25)23-14-7-9-17(21)18(22)11-14/h8-11,14,16,18H,3-7,12-13,15H2,1-2H3,(H,25,26);3,5-6,8,12-14,23-24H,4,7,9-11H2,1-2H3;3,5-6,8,12-13,24H,4,7,9-11H2,1-2H3,(H,25,26);2-5,10-12,14,22-23H,6-9,13H2,1H3;3-4,6-7,10-12,23-24H,5,8-9H2,1-2H3;7-13H,2-6H2,1H3,(H,23,24)
• InChIKey: NORPULODEUYUBH-UHFFFAOYSA-N
• XLogP: 27.18
• TPSA: 240.01 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2156.68
LogP ≤ 5	27.18
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine (CID 159841155) is N-(1,3-benzodioxol-5-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine.

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

The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine is CN1CCC(c2c[nH]c3cc(Nc4ccc5c(c4)OCO5)ccc23)CC1.CN1CCc2ccc(Nc3ccc4c(C5CCCCC5)cn(C)c4n3)cc2C1.CNC1CCc2c(c3ccc(Nc4ccc(F)c(F)c4)cc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc5c(c4)OCCO5)cc3n2C)C1.COCCNC1CCc2c(c3ccc(Nc4ccc(F)c(F)c4)nc3n2C)C1.Cn1cc(C2CCCCC2)c2ccc(Nc3ccc(F)c(F)c3)nc21.

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

The InChIKey is NORPULODEUYUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4.C22H25N3O2.C21H24F2N4O.C21H23N3O2.2C20H21F2N3/c1-27-13-12-17-8-9-20(14-19(17)15-27)25-23-11-10-21-22(16-28(2)24(21)26-23)18-6-4-3-5-7-18;1-23-14-4-7-19-18(11-14)17-6-3-15(12-20(17)25(19)2)24-16-5-8-21-22(13-16)27-10-9-26-21;1-27-19-7-4-13(24-9-10-28-2)11-16(19)15-5-8-20(26-21(15)27)25-14-3-6-17(22)18(23)12-14;1-24-8-6-14(7-9-24)18-12-22-19-10-15(2-4-17(18)19)23-16-3-5-20-21(11-16)26-13-25-20;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;1-25-12-16(13-5-3-2-4-6-13)15-8-10-19(24-20(15)25)23-14-7-9-17(21)18(22)11-14/h8-11,14,16,18H,3-7,12-13,15H2,1-2H3,(H,25,26);3,5-6,8,12-14,23-24H,4,7,9-11H2,1-2H3;3,5-6,8,12-13,24H,4,7,9-11H2,1-2H3,(H,25,26);2-5,10-12,14,22-23H,6-9,13H2,1H3;3-4,6-7,10-12,23-24H,5,8-9H2,1-2H3;7-13H,2-6H2,1H3,(H,23,24).

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

N-(1,3-benzodioxol-5-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine has a molecular weight of 2156.68 g/mol, XLogP of 27.18, 21 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine;2-N-(3,4-difluorophenyl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine;2-N-(3,4-difluorophenyl)-6-N-(2-methoxyethyl)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydrocarbazole-2,6-diamine is sourced from PubChem (CID 159841155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).