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

C130H141N27O7 — CID 158558770

About N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-6-amine;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;methyl 6-[(3-cyclohexyl-1H-indol-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;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;N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-6-amine;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;methyl 6-[(3-cyclohexyl-1H-indol-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;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 158558770) has the molecular formula C130H141N27O7 and a molecular weight of 2193.74 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-6-amine;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;methyl 6-[(3-cyclohexyl-1H-indol-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;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;N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-6-amine;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;methyl 6-[(3-cyclohexyl-1H-indol-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;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: 158558770
• Molecular Formula: C130H141N27O7
• Molecular Weight: 2193.74 g/mol
• Exact Mass: 2192.15
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-6-amine;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;methyl 6-[(3-cyclohexyl-1H-indol-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;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: CNC1CCc2c(c3ccc(Nc4ccc(N5CCOCC5)cc4)nc3n2C)C1.COC(=O)c1c[nH]c2nc(Nc3ccc4c(C5CCCCC5)c[nH]c4c3)ccc12.N#Cc1c[nH]c2nc(Nc3cnc4c(C5CCNCC5)c[nH]c4c3)ccc12.c1cc2c(cc1Nc1ccc3c(C4CCCCC4)c[nH]c3c1)OCO2.c1cc2c(cc1Nc1ccc3c(C4CCCCC4)c[nH]c3n1)OCO2.c1nc2c(C3CCNCC3)c[nH]c2cc1Nc1ccc2c3c([nH]c2n1)CCCC3
• InChI: InChI=1S/C23H26N6.C23H29N5O.C23H24N4O2.C21H22N2O2.C20H19N7.C20H21N3O2/c1-2-4-19-16(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;1-29-23(28)19-13-25-22-17(19)9-10-21(27-22)26-15-7-8-16-18(12-24-20(16)11-15)14-5-3-2-4-6-14;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;1-2-4-13(5-3-1)16-11-21-20-15(16)7-9-19(23-20)22-14-6-8-17-18(10-14)25-12-24-17/h5-6,11-14,24-25H,1-4,7-10H2,(H2,27,28,29);3-4,6-8,10,17,24H,5,9,11-15H2,1-2H3,(H,25,26);7-14,24H,2-6H2,1H3,(H2,25,26,27);6-12,14,22-23H,1-5,13H2;1-2,7,9-12,22-23H,3-6H2,(H2,25,26,27);6-11,13H,1-5,12H2,(H2,21,22,23)
• InChIKey: HQPUCBBWTNULGG-UHFFFAOYSA-N
• XLogP: 27.67
• TPSA: 429.23 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.74
LogP ≤ 5	27.67
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;N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-6-amine;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;methyl 6-[(3-cyclohexyl-1H-indol-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;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;N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-6-amine;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;methyl 6-[(3-cyclohexyl-1H-indol-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;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 158558770) is N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-6-amine;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;methyl 6-[(3-cyclohexyl-1H-indol-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;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;N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-6-amine;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;methyl 6-[(3-cyclohexyl-1H-indol-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;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;N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-6-amine;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;methyl 6-[(3-cyclohexyl-1H-indol-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;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 CNC1CCc2c(c3ccc(Nc4ccc(N5CCOCC5)cc4)nc3n2C)C1.COC(=O)c1c[nH]c2nc(Nc3ccc4c(C5CCCCC5)c[nH]c4c3)ccc12.N#Cc1c[nH]c2nc(Nc3cnc4c(C5CCNCC5)c[nH]c4c3)ccc12.c1cc2c(cc1Nc1ccc3c(C4CCCCC4)c[nH]c3c1)OCO2.c1cc2c(cc1Nc1ccc3c(C4CCCCC4)c[nH]c3n1)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;N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-6-amine;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;methyl 6-[(3-cyclohexyl-1H-indol-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;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 HQPUCBBWTNULGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6.C23H29N5O.C23H24N4O2.C21H22N2O2.C20H19N7.C20H21N3O2/c1-2-4-19-16(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;1-29-23(28)19-13-25-22-17(19)9-10-21(27-22)26-15-7-8-16-18(12-24-20(16)11-15)14-5-3-2-4-6-14;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;1-2-4-13(5-3-1)16-11-21-20-15(16)7-9-19(23-20)22-14-6-8-17-18(10-14)25-12-24-17/h5-6,11-14,24-25H,1-4,7-10H2,(H2,27,28,29);3-4,6-8,10,17,24H,5,9,11-15H2,1-2H3,(H,25,26);7-14,24H,2-6H2,1H3,(H2,25,26,27);6-12,14,22-23H,1-5,13H2;1-2,7,9-12,22-23H,3-6H2,(H2,25,26,27);6-11,13H,1-5,12H2,(H2,21,22,23).

What are the key properties of N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-indol-6-amine;N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-6-amine;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;methyl 6-[(3-cyclohexyl-1H-indol-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;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;N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-6-amine;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;methyl 6-[(3-cyclohexyl-1H-indol-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;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 2193.74 g/mol, XLogP of 27.67, 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;N-(1,3-benzodioxol-5-yl)-3-cyclohexyl-1H-pyrrolo[2,3-b]pyridin-6-amine;6-N,9-dimethyl-2-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine;methyl 6-[(3-cyclohexyl-1H-indol-6-yl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate;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 158558770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).