5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine)

C132H125ClN18O — CID 160668055

About 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine)

5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine) (PubChem CID 160668055) has the molecular formula C132H125ClN18O and a molecular weight of 2015.03 g/mol. Its IUPAC name is 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine).

Molecular Properties

• Compound Name: 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine)
• PubChem CID: 160668055
• Molecular Formula: C132H125ClN18O
• Molecular Weight: 2015.03 g/mol
• Exact Mass: 2013.00
• IUPAC Name: 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine)
• SMILES: COc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1
• InChI: InChI=1S/C22H20ClN3.C22H21N3O.4C22H21N3/c1-15-2-4-16(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;1-26-20-10-6-16(7-11-20)4-8-19-9-5-17(14-24-19)13-18-15-25-22-21(18)3-2-12-23-22;4*1-16-4-6-17(7-5-16)8-10-20-11-9-18(14-24-20)13-19-15-25-22-21(19)3-2-12-23-22/h2-5,7,9,11-14H,6,8,10H2,1H3,(H,25,26);2-3,5-7,9-12,14-15H,4,8,13H2,1H3,(H,23,25);4*2-7,9,11-12,14-15H,8,10,13H2,1H3,(H,23,25)
• InChIKey: RMOJWOLLLHURKL-UHFFFAOYSA-N
• XLogP: 28.21
• TPSA: 258.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 31
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2015.03
LogP ≤ 5	28.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

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;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine)?

The IUPAC name of 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine) (CID 160668055) is 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine).

What is the SMILES notation for 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine)?

The canonical SMILES for 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine) is COc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.

What is the InChIKey of 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine)?

The InChIKey is RMOJWOLLLHURKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3.C22H21N3O.4C22H21N3/c1-15-2-4-16(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;1-26-20-10-6-16(7-11-20)4-8-19-9-5-17(14-24-19)13-18-15-25-22-21(18)3-2-12-23-22;4*1-16-4-6-17(7-5-16)8-10-20-11-9-18(14-24-20)13-19-15-25-22-21(19)3-2-12-23-22/h2-5,7,9,11-14H,6,8,10H2,1H3,(H,25,26);2-3,5-7,9-12,14-15H,4,8,13H2,1H3,(H,23,25);4*2-7,9,11-12,14-15H,8,10,13H2,1H3,(H,23,25).

What are the key properties of 5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine)?

5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine) has a molecular weight of 2015.03 g/mol, XLogP of 28.21, 31 rotatable bonds, 6 hydrogen bond donors, and 13 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;3-[[6-[2-(4-methoxyphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;tetrakis(3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine) is sourced from PubChem (CID 160668055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).