[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone);3-[(2-ethylsulfanyl-4,6-dimethylpyrimidin-5-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C161H143Cl4F4N29O5S — CID 159057577

About [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone);3-[(2-ethylsulfanyl-4,6-dimethylpyrimidin-5-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone);3-[(2-ethylsulfanyl-4,6-dimethylpyrimidin-5-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 159057577) has the molecular formula C161H143Cl4F4N29O5S and a molecular weight of 2813.98 g/mol. Its IUPAC name is [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone);3-[(2-ethylsulfanyl-4,6-dimethylpyrimidin-5-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

• Compound Name: [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone);3-[(2-ethylsulfanyl-4,6-dimethylpyrimidin-5-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
• PubChem CID: 159057577
• Molecular Formula: C161H143Cl4F4N29O5S
• Molecular Weight: 2813.98 g/mol
• Exact Mass: 2810.02
• IUPAC Name: [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone);3-[(2-ethylsulfanyl-4,6-dimethylpyrimidin-5-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
• SMILES: CCSc1nc(C)c(Cc2c[nH]c3ncccc23)c(C)n1.COC(c1c(C)nn(-c2ccccc2)c1Cl)c1c[nH]c2ncccc12.Cc1ccc(CCc2ccc(C(=O)c3c[nH]c4ncccc34)c(C(F)(F)F)n2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(F)n2)cc1.Cc1nn(-c2ccccc2)c(Cl)c1Cc1c[nH]c2ncccc12.Cc1nn(C(=O)Cc2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.Cc1nn(C(=O)Cc2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.O=C(c1ccc(CCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12
• InChI: InChI=1S/C23H18F3N3O.C22H20FN3.C21H15Cl2N3O.2C21H20N4O.C19H17ClN4O.C18H15ClN4.C16H18N4S/c1-14-4-6-15(7-5-14)8-9-16-10-11-18(21(29-16)23(24,25)26)20(30)19-13-28-22-17(19)3-2-12-27-22;1-15-4-6-16(7-5-15)8-10-19-11-9-17(21(23)26-19)13-18-14-25-22-20(18)3-2-12-24-22;22-14-6-3-13(4-7-14)5-8-15-9-10-17(20(23)26-15)19(27)18-12-25-21-16(18)2-1-11-24-21;2*1-14-19(12-17-13-23-21-18(17)9-6-10-22-21)15(2)25(24-14)20(26)11-16-7-4-3-5-8-16;1-12-16(18(20)24(23-12)13-7-4-3-5-8-13)17(25-2)15-11-22-19-14(15)9-6-10-21-19;1-12-16(10-13-11-21-18-15(13)8-5-9-20-18)17(19)23(22-12)14-6-3-2-4-7-14;1-4-21-16-19-10(2)14(11(3)20-16)8-12-9-18-15-13(12)6-5-7-17-15/h2-7,10-13H,8-9H2,1H3,(H,27,28);2-7,9,11-12,14H,8,10,13H2,1H3,(H,24,25);1-4,6-7,9-12H,5,8H2,(H,24,25);2*3-10,13H,11-12H2,1-2H3,(H,22,23);3-11,17H,1-2H3,(H,21,22);2-9,11H,10H2,1H3,(H,20,21);5-7,9H,4,8H2,1-3H3,(H,17,18)
• InChIKey: JYBARJQBGRFQRG-UHFFFAOYSA-N
• XLogP: 35.48
• TPSA: 442.68 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 34
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2813.98
LogP ≤ 5	35.48
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone);3-[(2-ethylsulfanyl-4,6-dimethylpyrimidin-5-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?

The IUPAC name of [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone);3-[(2-ethylsulfanyl-4,6-dimethylpyrimidin-5-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 159057577) is [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone);3-[(2-ethylsulfanyl-4,6-dimethylpyrimidin-5-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

What is the SMILES notation for [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone);3-[(2-ethylsulfanyl-4,6-dimethylpyrimidin-5-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?

The canonical SMILES for [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone);3-[(2-ethylsulfanyl-4,6-dimethylpyrimidin-5-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is CCSc1nc(C)c(Cc2c[nH]c3ncccc23)c(C)n1.COC(c1c(C)nn(-c2ccccc2)c1Cl)c1c[nH]c2ncccc12.Cc1ccc(CCc2ccc(C(=O)c3c[nH]c4ncccc34)c(C(F)(F)F)n2)cc1.Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(F)n2)cc1.Cc1nn(-c2ccccc2)c(Cl)c1Cc1c[nH]c2ncccc12.Cc1nn(C(=O)Cc2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.Cc1nn(C(=O)Cc2ccccc2)c(C)c1Cc1c[nH]c2ncccc12.O=C(c1ccc(CCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12.

What is the InChIKey of [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone);3-[(2-ethylsulfanyl-4,6-dimethylpyrimidin-5-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?

The InChIKey is JYBARJQBGRFQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O.C22H20FN3.C21H15Cl2N3O.2C21H20N4O.C19H17ClN4O.C18H15ClN4.C16H18N4S/c1-14-4-6-15(7-5-14)8-9-16-10-11-18(21(29-16)23(24,25)26)20(30)19-13-28-22-17(19)3-2-12-27-22;1-15-4-6-16(7-5-15)8-10-19-11-9-17(21(23)26-19)13-18-14-25-22-20(18)3-2-12-24-22;22-14-6-3-13(4-7-14)5-8-15-9-10-17(20(23)26-15)19(27)18-12-25-21-16(18)2-1-11-24-21;2*1-14-19(12-17-13-23-21-18(17)9-6-10-22-21)15(2)25(24-14)20(26)11-16-7-4-3-5-8-16;1-12-16(18(20)24(23-12)13-7-4-3-5-8-13)17(25-2)15-11-22-19-14(15)9-6-10-21-19;1-12-16(10-13-11-21-18-15(13)8-5-9-20-18)17(19)23(22-12)14-6-3-2-4-7-14;1-4-21-16-19-10(2)14(11(3)20-16)8-12-9-18-15-13(12)6-5-7-17-15/h2-7,10-13H,8-9H2,1H3,(H,27,28);2-7,9,11-12,14H,8,10,13H2,1H3,(H,24,25);1-4,6-7,9-12H,5,8H2,(H,24,25);2*3-10,13H,11-12H2,1-2H3,(H,22,23);3-11,17H,1-2H3,(H,21,22);2-9,11H,10H2,1H3,(H,20,21);5-7,9H,4,8H2,1-3H3,(H,17,18).

What are the key properties of [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone);3-[(2-ethylsulfanyl-4,6-dimethylpyrimidin-5-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?

[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone);3-[(2-ethylsulfanyl-4,6-dimethylpyrimidin-5-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 2813.98 g/mol, XLogP of 35.48, 34 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine;3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone);3-[(2-ethylsulfanyl-4,6-dimethylpyrimidin-5-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[6-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 159057577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).