5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;bis(5-methoxy-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-ol);4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine

C169H176ClN23O7 — CID 157228765

About 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;bis(5-methoxy-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-ol);4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine

5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;bis(5-methoxy-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-ol);4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine (PubChem CID 157228765) has the molecular formula C169H176ClN23O7 and a molecular weight of 2676.87 g/mol. Its IUPAC name is 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;bis(5-methoxy-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-ol);4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine.

Molecular Properties

• Compound Name: 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;bis(5-methoxy-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-ol);4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine
• PubChem CID: 157228765
• Molecular Formula: C169H176ClN23O7
• Molecular Weight: 2676.87 g/mol
• Exact Mass: 2674.38
• IUPAC Name: 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;bis(5-methoxy-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-ol);4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine
• SMILES: CCN(CC)CCCOc1cnc2[nH]cc(Cc3ccc(CCc4ccc(C)cc4)nc3)c2c1.COc1cnc2[nH]cc(Cc3ccc(CCc4ccc(C)cc4)nc3)c2c1.COc1cnc2[nH]cc(Cc3ccc(CCc4ccc(C)cc4)nc3)c2c1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncc(O)cc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncc(O)cc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncc(OCCN5CCOCC5)cc34)cn2)cc1
• InChI: InChI=1S/C29H36N4O.C28H32N4O2.2C23H23N3O.C22H20ClN3.2C22H21N3O/c1-4-33(5-2)15-6-16-34-27-18-28-25(20-31-29(28)32-21-27)17-24-12-14-26(30-19-24)13-11-23-9-7-22(3)8-10-23;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;2*1-16-3-5-17(6-4-16)7-9-20-10-8-18(13-24-20)11-19-14-25-23-22(19)12-21(27-2)15-26-23;1-15-2-4-16(5-3-15)6-8-20-9-7-17(12-24-20)10-18-13-25-22-21(18)11-19(23)14-26-22;2*1-15-2-4-16(5-3-15)6-8-19-9-7-17(12-23-19)10-18-13-24-22-21(18)11-20(26)14-25-22/h7-10,12,14,18-21H,4-6,11,13,15-17H2,1-3H3,(H,31,32);2-5,7,9,17-20H,6,8,10-16H2,1H3,(H,30,31);2*3-6,8,10,12-15H,7,9,11H2,1-2H3,(H,25,26);2-5,7,9,11-14H,6,8,10H2,1H3,(H,25,26);2*2-5,7,9,11-14,26H,6,8,10H2,1H3,(H,24,25)
• InChIKey: ATWCIKPAANEZLT-UHFFFAOYSA-N
• XLogP: 33.40
• TPSA: 384.08 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 48
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2676.87
LogP ≤ 5	33.40
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;bis(5-methoxy-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-ol);4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine?

The IUPAC name of 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;bis(5-methoxy-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-ol);4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine (CID 157228765) is 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;bis(5-methoxy-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-ol);4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine.

What is the SMILES notation for 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;bis(5-methoxy-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-ol);4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine?

The canonical SMILES for 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;bis(5-methoxy-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-ol);4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine is CCN(CC)CCCOc1cnc2[nH]cc(Cc3ccc(CCc4ccc(C)cc4)nc3)c2c1.COc1cnc2[nH]cc(Cc3ccc(CCc4ccc(C)cc4)nc3)c2c1.COc1cnc2[nH]cc(Cc3ccc(CCc4ccc(C)cc4)nc3)c2c1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncc(O)cc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncc(O)cc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncc(OCCN5CCOCC5)cc34)cn2)cc1.

What is the InChIKey of 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;bis(5-methoxy-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-ol);4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine?

The InChIKey is ATWCIKPAANEZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O.C28H32N4O2.2C23H23N3O.C22H20ClN3.2C22H21N3O/c1-4-33(5-2)15-6-16-34-27-18-28-25(20-31-29(28)32-21-27)17-24-12-14-26(30-19-24)13-11-23-9-7-22(3)8-10-23;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;2*1-16-3-5-17(6-4-16)7-9-20-10-8-18(13-24-20)11-19-14-25-23-22(19)12-21(27-2)15-26-23;1-15-2-4-16(5-3-15)6-8-20-9-7-17(12-24-20)10-18-13-25-22-21(18)11-19(23)14-26-22;2*1-15-2-4-16(5-3-15)6-8-19-9-7-17(12-23-19)10-18-13-24-22-21(18)11-20(26)14-25-22/h7-10,12,14,18-21H,4-6,11,13,15-17H2,1-3H3,(H,31,32);2-5,7,9,17-20H,6,8,10-16H2,1H3,(H,30,31);2*3-6,8,10,12-15H,7,9,11H2,1-2H3,(H,25,26);2-5,7,9,11-14H,6,8,10H2,1H3,(H,25,26);2*2-5,7,9,11-14,26H,6,8,10H2,1H3,(H,24,25).

What are the key properties of 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;bis(5-methoxy-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-ol);4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine?

5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;bis(5-methoxy-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-ol);4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine has a molecular weight of 2676.87 g/mol, XLogP of 33.40, 48 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-3-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]propan-1-amine;bis(5-methoxy-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine);bis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-ol);4-[2-[[3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]oxy]ethyl]morpholine is sourced from PubChem (CID 157228765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).