[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

C65H50Cl3F4N9O2 — CID 158124595

About [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158124595) has the molecular formula C65H50Cl3F4N9O2 and a molecular weight of 1171.53 g/mol. Its IUPAC name is [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158124595
• Molecular Formula: C65H50Cl3F4N9O2
• Molecular Weight: 1171.53 g/mol
• Exact Mass: 1169.31
• IUPAC Name: [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(F)n2)cc1.O=C(c1ccc(CCc2ccc(Cl)cc2)nc1C(F)(F)F)c1c[nH]c2ncccc12.O=C(c1ccc(CCc2ccc(Cl)cc2)nc1Cl)c1c[nH]c2ncccc12
• InChI: InChI=1S/C22H15ClF3N3O.C22H20FN3.C21H15Cl2N3O/c23-14-6-3-13(4-7-14)5-8-15-9-10-17(20(29-15)22(24,25)26)19(30)18-12-28-21-16(18)2-1-11-27-21;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/h1-4,6-7,9-12H,5,8H2,(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)
• InChIKey: FRZWSPLHLVXRDY-UHFFFAOYSA-N
• XLogP: 15.71
• TPSA: 158.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1171.53
LogP ≤ 5	15.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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;[6-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 158124595) is [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is Cc1ccc(CCc2ccc(Cc3c[nH]c4ncccc34)c(F)n2)cc1.O=C(c1ccc(CCc2ccc(Cl)cc2)nc1C(F)(F)F)c1c[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;[6-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is FRZWSPLHLVXRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N3O.C22H20FN3.C21H15Cl2N3O/c23-14-6-3-13(4-7-14)5-8-15-9-10-17(20(29-15)22(24,25)26)19(30)18-12-28-21-16(18)2-1-11-27-21;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/h1-4,6-7,9-12H,5,8H2,(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).

What are the key properties of [2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1171.53 g/mol, XLogP of 15.71, 15 rotatable bonds, 3 hydrogen bond donors, and 8 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;[6-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-[[2-fluoro-6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158124595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).