N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(1,3-benzodioxol-5-yl)-1-methyl-3-piperidin-4-ylindol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;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

C126H142F4N18O8 — CID 158889087

About N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(1,3-benzodioxol-5-yl)-1-methyl-3-piperidin-4-ylindol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;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

N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(1,3-benzodioxol-5-yl)-1-methyl-3-piperidin-4-ylindol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;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 158889087) has the molecular formula C126H142F4N18O8 and a molecular weight of 2112.63 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(1,3-benzodioxol-5-yl)-1-methyl-3-piperidin-4-ylindol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;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: N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(1,3-benzodioxol-5-yl)-1-methyl-3-piperidin-4-ylindol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;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: 158889087
• Molecular Formula: C126H142F4N18O8
• Molecular Weight: 2112.63 g/mol
• Exact Mass: 2111.12
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(1,3-benzodioxol-5-yl)-1-methyl-3-piperidin-4-ylindol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;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(OC)c(OC)c4)cc3n2C)C1.Cn1cc(C2CCCCC2)c2ccc(Nc3ccc(F)c(F)c3)nc21.Cn1cc(C2CCCCC2)c2ccc(Nc3ccc4c(c3)OCO4)nc21.Cn1cc(C2CCNCC2)c2ccc(Nc3ccc4c(c3)OCO4)cc21
• InChI: InChI=1S/2C22H27N3O2.2C21H23N3O2.2C20H21F2N3/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;1-24-12-18(14-6-8-22-9-7-14)17-4-2-15(10-19(17)24)23-16-3-5-20-21(11-16)26-13-25-20;1-24-12-17(14-5-3-2-4-6-14)16-8-10-20(23-21(16)24)22-15-7-9-18-19(11-15)26-13-25-18;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;1-25-12-16(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/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;2-5,10-12,14,22-23H,6-9,13H2,1H3;7-12,14H,2-6,13H2,1H3,(H,22,23);3,5,8-9,11,14,23H,4,6-7,10H2,1-2H3;7-13H,2-6H2,1H3,(H,23,24)
• InChIKey: JDZOOZOHEKQZCT-UHFFFAOYSA-N
• XLogP: 25.65
• TPSA: 251.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2112.63
LogP ≤ 5	25.65
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(1,3-benzodioxol-5-yl)-1-methyl-3-piperidin-4-ylindol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;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 N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(1,3-benzodioxol-5-yl)-1-methyl-3-piperidin-4-ylindol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;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 158889087) is N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(1,3-benzodioxol-5-yl)-1-methyl-3-piperidin-4-ylindol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;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 N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(1,3-benzodioxol-5-yl)-1-methyl-3-piperidin-4-ylindol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;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 N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(1,3-benzodioxol-5-yl)-1-methyl-3-piperidin-4-ylindol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;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(OC)c(OC)c4)cc3n2C)C1.Cn1cc(C2CCCCC2)c2ccc(Nc3ccc(F)c(F)c3)nc21.Cn1cc(C2CCCCC2)c2ccc(Nc3ccc4c(c3)OCO4)nc21.Cn1cc(C2CCNCC2)c2ccc(Nc3ccc4c(c3)OCO4)cc21.

What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(1,3-benzodioxol-5-yl)-1-methyl-3-piperidin-4-ylindol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;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 JDZOOZOHEKQZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H27N3O2.2C21H23N3O2.2C20H21F2N3/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;1-24-12-18(14-6-8-22-9-7-14)17-4-2-15(10-19(17)24)23-16-3-5-20-21(11-16)26-13-25-20;1-24-12-17(14-5-3-2-4-6-14)16-8-10-20(23-21(16)24)22-15-7-9-18-19(11-15)26-13-25-18;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;1-25-12-16(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/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;2-5,10-12,14,22-23H,6-9,13H2,1H3;7-12,14H,2-6,13H2,1H3,(H,22,23);3,5,8-9,11,14,23H,4,6-7,10H2,1-2H3;7-13H,2-6H2,1H3,(H,23,24).

What are the key properties of N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(1,3-benzodioxol-5-yl)-1-methyl-3-piperidin-4-ylindol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;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?

N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(1,3-benzodioxol-5-yl)-1-methyl-3-piperidin-4-ylindol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;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 2112.63 g/mol, XLogP of 25.65, 22 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1-methylpyrrolo[2,3-b]pyridin-6-amine;N-(1,3-benzodioxol-5-yl)-1-methyl-3-piperidin-4-ylindol-6-amine;3-cyclohexyl-N-(3,4-difluorophenyl)-1-methylpyrrolo[2,3-b]pyridin-6-amine;3-[(3,4-difluorophenyl)methyl]-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-6-amine;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 158889087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).