5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoic acid;3,5-dimethyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-2-methylpyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;4-(3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,5-dimethyl-1,2-oxazole;methyl 4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate

C108H84BrF6I2N23O11 — CID 158688922

About 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoic acid;3,5-dimethyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-2-methylpyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;4-(3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,5-dimethyl-1,2-oxazole;methyl 4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate

5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoic acid;3,5-dimethyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-2-methylpyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;4-(3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,5-dimethyl-1,2-oxazole;methyl 4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate (PubChem CID 158688922) has the molecular formula C108H84BrF6I2N23O11 and a molecular weight of 2327.71 g/mol. Its IUPAC name is 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoic acid;3,5-dimethyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-2-methylpyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;4-(3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,5-dimethyl-1,2-oxazole;methyl 4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate.

Molecular Properties

• Compound Name: 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoic acid;3,5-dimethyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-2-methylpyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;4-(3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,5-dimethyl-1,2-oxazole;methyl 4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate
• PubChem CID: 158688922
• Molecular Formula: C108H84BrF6I2N23O11
• Molecular Weight: 2327.71 g/mol
• Exact Mass: 2325.39
• IUPAC Name: 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoic acid;3,5-dimethyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-2-methylpyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;4-(3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,5-dimethyl-1,2-oxazole;methyl 4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate
• SMILES: COC(=O)c1ccc(-c2c(C)n(-c3ncccc3C#N)c3ncc(-c4c(C)noc4C)cc23)c(OC(F)(F)F)c1.Cc1cc2cc(-c3c(C)noc3C)cnc2[nH]1.Cc1cc2cc(Br)cnc2[nH]1.Cc1noc(C)c1-c1cnc2[nH]c(C)c(I)c2c1.Cc1noc(C)c1-c1cnc2c(c1)c(-c1ccc(C(=O)O)cc1OC(F)(F)F)c(C)n2-c1ncccc1C#N.Cc1noc(C)c1-c1cnc2c(c1)c(I)c(C)n2-c1ncccc1C#N
• InChI: InChI=1S/C28H20F3N5O4.C27H18F3N5O4.C19H14IN5O.C13H12IN3O.C13H13N3O.C8H7BrN2/c1-14-23(16(3)40-35-14)19-10-21-24(20-8-7-17(27(37)38-4)11-22(20)39-28(29,30)31)15(2)36(26(21)34-13-19)25-18(12-32)6-5-9-33-25;1-13-22(15(3)39-34-13)18-9-20-23(19-7-6-16(26(36)37)10-21(19)38-27(28,29)30)14(2)35(25(20)33-12-18)24-17(11-31)5-4-8-32-24;1-10-16(12(3)26-24-10)14-7-15-17(20)11(2)25(19(15)23-9-14)18-13(8-21)5-4-6-22-18;1-6-11(8(3)18-17-6)9-4-10-12(14)7(2)16-13(10)15-5-9;1-7-4-10-5-11(6-14-13(10)15-7)12-8(2)16-17-9(12)3;1-5-2-6-3-7(9)4-10-8(6)11-5/h5-11,13H,1-4H3;4-10,12H,1-3H3,(H,36,37);4-7,9H,1-3H3;4-5H,1-3H3,(H,15,16);4-6H,1-3H3,(H,14,15);2-4H,1H3,(H,10,11)
• InChIKey: IGCBOAQKRFISQK-UHFFFAOYSA-N
• XLogP: 26.36
• TPSA: 461.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 14
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2327.71
LogP ≤ 5	26.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoic acid;3,5-dimethyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-2-methylpyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;4-(3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,5-dimethyl-1,2-oxazole;methyl 4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate?

The IUPAC name of 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoic acid;3,5-dimethyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-2-methylpyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;4-(3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,5-dimethyl-1,2-oxazole;methyl 4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate (CID 158688922) is 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoic acid;3,5-dimethyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-2-methylpyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;4-(3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,5-dimethyl-1,2-oxazole;methyl 4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate.

What is the SMILES notation for 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoic acid;3,5-dimethyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-2-methylpyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;4-(3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,5-dimethyl-1,2-oxazole;methyl 4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate?

The canonical SMILES for 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoic acid;3,5-dimethyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-2-methylpyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;4-(3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,5-dimethyl-1,2-oxazole;methyl 4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate is COC(=O)c1ccc(-c2c(C)n(-c3ncccc3C#N)c3ncc(-c4c(C)noc4C)cc23)c(OC(F)(F)F)c1.Cc1cc2cc(-c3c(C)noc3C)cnc2[nH]1.Cc1cc2cc(Br)cnc2[nH]1.Cc1noc(C)c1-c1cnc2[nH]c(C)c(I)c2c1.Cc1noc(C)c1-c1cnc2c(c1)c(-c1ccc(C(=O)O)cc1OC(F)(F)F)c(C)n2-c1ncccc1C#N.Cc1noc(C)c1-c1cnc2c(c1)c(I)c(C)n2-c1ncccc1C#N.

What is the InChIKey of 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoic acid;3,5-dimethyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-2-methylpyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;4-(3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,5-dimethyl-1,2-oxazole;methyl 4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate?

The InChIKey is IGCBOAQKRFISQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3N5O4.C27H18F3N5O4.C19H14IN5O.C13H12IN3O.C13H13N3O.C8H7BrN2/c1-14-23(16(3)40-35-14)19-10-21-24(20-8-7-17(27(37)38-4)11-22(20)39-28(29,30)31)15(2)36(26(21)34-13-19)25-18(12-32)6-5-9-33-25;1-13-22(15(3)39-34-13)18-9-20-23(19-7-6-16(26(36)37)10-21(19)38-27(28,29)30)14(2)35(25(20)33-12-18)24-17(11-31)5-4-8-32-24;1-10-16(12(3)26-24-10)14-7-15-17(20)11(2)25(19(15)23-9-14)18-13(8-21)5-4-6-22-18;1-6-11(8(3)18-17-6)9-4-10-12(14)7(2)16-13(10)15-5-9;1-7-4-10-5-11(6-14-13(10)15-7)12-8(2)16-17-9(12)3;1-5-2-6-3-7(9)4-10-8(6)11-5/h5-11,13H,1-4H3;4-10,12H,1-3H3,(H,36,37);4-7,9H,1-3H3;4-5H,1-3H3,(H,15,16);4-6H,1-3H3,(H,14,15);2-4H,1H3,(H,10,11).

What are the key properties of 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoic acid;3,5-dimethyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-2-methylpyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;4-(3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,5-dimethyl-1,2-oxazole;methyl 4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate?

5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoic acid;3,5-dimethyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-2-methylpyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;4-(3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,5-dimethyl-1,2-oxazole;methyl 4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate has a molecular weight of 2327.71 g/mol, XLogP of 26.36, 14 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine;4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoic acid;3,5-dimethyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole;2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-iodo-2-methylpyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbonitrile;4-(3-iodo-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,5-dimethyl-1,2-oxazole;methyl 4-[1-(3-cyano-2-pyridinyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[2,3-b]pyridin-3-yl]-3-(trifluoromethoxy)benzoate is sourced from PubChem (CID 158688922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).