N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;3-cyclohexyl-N-(3-piperidin-4-yl-1H-inden-5-yl)-1H-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;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-[(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-2-amine

C136H153N27O5 — CID 158015531

About N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;3-cyclohexyl-N-(3-piperidin-4-yl-1H-inden-5-yl)-1H-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;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-[(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-2-amine

N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;3-cyclohexyl-N-(3-piperidin-4-yl-1H-inden-5-yl)-1H-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;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-[(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-2-amine (PubChem CID 158015531) has the molecular formula C136H153N27O5 and a molecular weight of 2245.90 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;3-cyclohexyl-N-(3-piperidin-4-yl-1H-inden-5-yl)-1H-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;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-[(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-2-amine.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;3-cyclohexyl-N-(3-piperidin-4-yl-1H-inden-5-yl)-1H-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;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-[(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-2-amine
• PubChem CID: 158015531
• Molecular Formula: C136H153N27O5
• Molecular Weight: 2245.90 g/mol
• Exact Mass: 2244.25
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;3-cyclohexyl-N-(3-piperidin-4-yl-1H-inden-5-yl)-1H-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;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-[(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-2-amine
• SMILES: C1=C(C2CCNCC2)c2cc(Nc3ccc4c(C5CCCCC5)c[nH]c4c3)ccc2C1.CNC1CCc2c(c3ccc(Nc4ccc(N5CCOCC5)cc4)nc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc5c(c4)OCCO5)nc3n2C)C1.N#Cc1c[nH]c2nc(Nc3cnc4c(C5CCNCC5)c[nH]c4c3)ccc12.c1cc2c(cc1Nc1ccc3c(C4CCCCC4)c[nH]c3c1)OCO2.c1nc2c(C3CCNCC3)c[nH]c2cc1Nc1ccc2c3c([nH]c2n1)CCCC3
• InChI: InChI=1S/C28H33N3.C23H26N6.C23H29N5O.C21H24N4O2.C21H22N2O2.C20H19N7/c1-2-4-19(5-3-1)27-18-30-28-17-23(9-11-25(27)28)31-22-8-6-20-7-10-24(26(20)16-22)21-12-14-29-15-13-21;1-2-4-19-16(3-1)17-5-6-21(29-23(17)28-19)27-15-11-20-22(26-12-15)18(13-25-20)14-7-9-24-10-8-14;1-24-17-5-9-21-20(15-17)19-8-10-22(26-23(19)27(21)2)25-16-3-6-18(7-4-16)28-11-13-29-14-12-28;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;1-2-4-14(5-3-1)18-12-22-19-10-15(6-8-17(18)19)23-16-7-9-20-21(11-16)25-13-24-20;21-8-13-9-25-20-15(13)1-2-18(27-20)26-14-7-17-19(24-10-14)16(11-23-17)12-3-5-22-6-4-12/h6,8-11,16-19,21,29-31H,1-5,7,12-15H2;5-6,11-14,24-25H,1-4,7-10H2,(H2,27,28,29);3-4,6-8,10,17,24H,5,9,11-15H2,1-2H3,(H,25,26);4-5,7-8,12-13,22H,3,6,9-11H2,1-2H3,(H,23,24);6-12,14,22-23H,1-5,13H2;1-2,7,9-12,22-23H,3-6H2,(H2,25,26,27)
• InChIKey: FFKKVPBFKAFDNC-UHFFFAOYSA-N
• XLogP: 27.03
• TPSA: 387.45 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2245.90
LogP ≤ 5	27.03
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;3-cyclohexyl-N-(3-piperidin-4-yl-1H-inden-5-yl)-1H-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;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-[(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-2-amine?

The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;3-cyclohexyl-N-(3-piperidin-4-yl-1H-inden-5-yl)-1H-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;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-[(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-2-amine (CID 158015531) is N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;3-cyclohexyl-N-(3-piperidin-4-yl-1H-inden-5-yl)-1H-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;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-[(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-2-amine.

What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;3-cyclohexyl-N-(3-piperidin-4-yl-1H-inden-5-yl)-1H-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;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-[(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-2-amine?

The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;3-cyclohexyl-N-(3-piperidin-4-yl-1H-inden-5-yl)-1H-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;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-[(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-2-amine is C1=C(C2CCNCC2)c2cc(Nc3ccc4c(C5CCCCC5)c[nH]c4c3)ccc2C1.CNC1CCc2c(c3ccc(Nc4ccc(N5CCOCC5)cc4)nc3n2C)C1.CNC1CCc2c(c3ccc(Nc4ccc5c(c4)OCCO5)nc3n2C)C1.N#Cc1c[nH]c2nc(Nc3cnc4c(C5CCNCC5)c[nH]c4c3)ccc12.c1cc2c(cc1Nc1ccc3c(C4CCCCC4)c[nH]c3c1)OCO2.c1nc2c(C3CCNCC3)c[nH]c2cc1Nc1ccc2c3c([nH]c2n1)CCCC3.

What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;3-cyclohexyl-N-(3-piperidin-4-yl-1H-inden-5-yl)-1H-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;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-[(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-2-amine?

The InChIKey is FFKKVPBFKAFDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3.C23H26N6.C23H29N5O.C21H24N4O2.C21H22N2O2.C20H19N7/c1-2-4-19(5-3-1)27-18-30-28-17-23(9-11-25(27)28)31-22-8-6-20-7-10-24(26(20)16-22)21-12-14-29-15-13-21;1-2-4-19-16(3-1)17-5-6-21(29-23(17)28-19)27-15-11-20-22(26-12-15)18(13-25-20)14-7-9-24-10-8-14;1-24-17-5-9-21-20(15-17)19-8-10-22(26-23(19)27(21)2)25-16-3-6-18(7-4-16)28-11-13-29-14-12-28;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;1-2-4-14(5-3-1)18-12-22-19-10-15(6-8-17(18)19)23-16-7-9-20-21(11-16)25-13-24-20;21-8-13-9-25-20-15(13)1-2-18(27-20)26-14-7-17-19(24-10-14)16(11-23-17)12-3-5-22-6-4-12/h6,8-11,16-19,21,29-31H,1-5,7,12-15H2;5-6,11-14,24-25H,1-4,7-10H2,(H2,27,28,29);3-4,6-8,10,17,24H,5,9,11-15H2,1-2H3,(H,25,26);4-5,7-8,12-13,22H,3,6,9-11H2,1-2H3,(H,23,24);6-12,14,22-23H,1-5,13H2;1-2,7,9-12,22-23H,3-6H2,(H2,25,26,27).

What are the key properties of N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;3-cyclohexyl-N-(3-piperidin-4-yl-1H-inden-5-yl)-1H-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;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-[(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-2-amine?

N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;3-cyclohexyl-N-(3-piperidin-4-yl-1H-inden-5-yl)-1H-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;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-[(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-2-amine has a molecular weight of 2245.90 g/mol, XLogP of 27.03, 20 rotatable bonds, 17 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-1H-indol-6-amine;3-cyclohexyl-N-(3-piperidin-4-yl-1H-inden-5-yl)-1H-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;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;6-[(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile;N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-6-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-2-amine is sourced from PubChem (CID 158015531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).