N,N-diethyl-2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethanamine;methane;3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;N-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]pentan-3-amine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone)

C180H195N25O8 — CID 158494922

About N,N-diethyl-2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethanamine;methane;3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;N-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]pentan-3-amine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone)

N,N-diethyl-2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethanamine;methane;3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;N-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]pentan-3-amine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone) (PubChem CID 158494922) has the molecular formula C180H195N25O8 and a molecular weight of 2836.71 g/mol. Its IUPAC name is N,N-diethyl-2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethanamine;methane;3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;N-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]pentan-3-amine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone).

Molecular Properties

• Compound Name: N,N-diethyl-2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethanamine;methane;3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;N-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]pentan-3-amine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone)
• PubChem CID: 158494922
• Molecular Formula: C180H195N25O8
• Molecular Weight: 2836.71 g/mol
• Exact Mass: 2834.56
• IUPAC Name: N,N-diethyl-2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethanamine;methane;3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;N-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]pentan-3-amine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone)
• SMILES: C.CCC(CC)NCCOc1cnc2[nH]cc(Cc3ccc(CCc4ccc(C)cc4)nc3)c2c1.CCN(CC)CCOc1cnc2[nH]cc(Cc3ccc(CCc4ccc(C)cc4)nc3)c2c1.Cc1ccc(C(=O)Cc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(C(=O)Cc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(C(=O)Cc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncc(OCCN5CCCC5)cc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncc(OCCN5CCOCC5)cc34)cn2)cc1
• InChI: InChI=1S/C29H36N4O.C28H32N4O2.C28H32N4O.C28H34N4O.3C22H19N3O.CH4/c1-4-25(5-2)30-14-15-34-27-17-28-24(19-32-29(28)33-20-27)16-23-11-13-26(31-18-23)12-10-22-8-6-21(3)7-9-22;1-21-2-4-22(5-3-21)6-8-25-9-7-23(18-29-25)16-24-19-30-28-27(24)17-26(20-31-28)34-15-12-32-10-13-33-14-11-32;1-21-4-6-22(7-5-21)8-10-25-11-9-23(18-29-25)16-24-19-30-28-27(24)17-26(20-31-28)33-15-14-32-12-2-3-13-32;1-4-32(5-2)14-15-33-26-17-27-24(19-30-28(27)31-20-26)16-23-11-13-25(29-18-23)12-10-22-8-6-21(3)7-9-22;3*1-15-4-7-17(8-5-15)21(26)12-19-9-6-16(13-24-19)11-18-14-25-22-20(18)3-2-10-23-22;/h6-9,11,13,17-20,25,30H,4-5,10,12,14-16H2,1-3H3,(H,32,33);2-5,7,9,17-20H,6,8,10-16H2,1H3,(H,30,31);4-7,9,11,17-20H,2-3,8,10,12-16H2,1H3,(H,30,31);6-9,11,13,17-20H,4-5,10,12,14-16H2,1-3H3,(H,30,31);3*2-10,13-14H,11-12H2,1H3,(H,23,25);1H4
• InChIKey: HJDSABMYUITILY-UHFFFAOYSA-N
• XLogP: 34.12
• TPSA: 410.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 56
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2836.71
LogP ≤ 5	34.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethanamine;methane;3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;N-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]pentan-3-amine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone)?

The IUPAC name of N,N-diethyl-2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethanamine;methane;3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;N-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]pentan-3-amine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone) (CID 158494922) is N,N-diethyl-2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethanamine;methane;3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;N-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]pentan-3-amine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone).

What is the SMILES notation for N,N-diethyl-2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethanamine;methane;3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;N-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]pentan-3-amine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone)?

The canonical SMILES for N,N-diethyl-2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethanamine;methane;3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;N-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]pentan-3-amine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone) is C.CCC(CC)NCCOc1cnc2[nH]cc(Cc3ccc(CCc4ccc(C)cc4)nc3)c2c1.CCN(CC)CCOc1cnc2[nH]cc(Cc3ccc(CCc4ccc(C)cc4)nc3)c2c1.Cc1ccc(C(=O)Cc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(C(=O)Cc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(C(=O)Cc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncc(OCCN5CCCC5)cc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncc(OCCN5CCOCC5)cc34)cn2)cc1.

What is the InChIKey of N,N-diethyl-2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethanamine;methane;3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;N-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]pentan-3-amine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone)?

The InChIKey is HJDSABMYUITILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O.C28H32N4O2.C28H32N4O.C28H34N4O.3C22H19N3O.CH4/c1-4-25(5-2)30-14-15-34-27-17-28-24(19-32-29(28)33-20-27)16-23-11-13-26(31-18-23)12-10-22-8-6-21(3)7-9-22;1-21-2-4-22(5-3-21)6-8-25-9-7-23(18-29-25)16-24-19-30-28-27(24)17-26(20-31-28)34-15-12-32-10-13-33-14-11-32;1-21-4-6-22(7-5-21)8-10-25-11-9-23(18-29-25)16-24-19-30-28-27(24)17-26(20-31-28)33-15-14-32-12-2-3-13-32;1-4-32(5-2)14-15-33-26-17-27-24(19-30-28(27)31-20-26)16-23-11-13-25(29-18-23)12-10-22-8-6-21(3)7-9-22;3*1-15-4-7-17(8-5-15)21(26)12-19-9-6-16(13-24-19)11-18-14-25-22-20(18)3-2-10-23-22;/h6-9,11,13,17-20,25,30H,4-5,10,12,14-16H2,1-3H3,(H,32,33);2-5,7,9,17-20H,6,8,10-16H2,1H3,(H,30,31);4-7,9,11,17-20H,2-3,8,10,12-16H2,1H3,(H,30,31);6-9,11,13,17-20H,4-5,10,12,14-16H2,1-3H3,(H,30,31);3*2-10,13-14H,11-12H2,1H3,(H,23,25);1H4.

What are the key properties of N,N-diethyl-2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethanamine;methane;3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;N-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]pentan-3-amine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone)?

N,N-diethyl-2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethanamine;methane;3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;N-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]pentan-3-amine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone) has a molecular weight of 2836.71 g/mol, XLogP of 34.12, 56 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethanamine;methane;3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[2,3-b]pyridine;4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine;N-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]pentan-3-amine;tris(1-(4-methylphenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone) is sourced from PubChem (CID 158494922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).