(2-amino-5-bromo-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;5-bromo-3-[1-(2-ethylpyrazol-3-yl)-2-methoxyethenyl]pyridin-2-amine;5-bromo-3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;(5-bromo-2-fluoro-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;2-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide;2-ethylpyrazole-3-carboxylic acid

C79H88Br5FN24O9 — CID 158060448

About (2-amino-5-bromo-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;5-bromo-3-[1-(2-ethylpyrazol-3-yl)-2-methoxyethenyl]pyridin-2-amine;5-bromo-3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;(5-bromo-2-fluoro-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;2-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide;2-ethylpyrazole-3-carboxylic acid

(2-amino-5-bromo-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;5-bromo-3-[1-(2-ethylpyrazol-3-yl)-2-methoxyethenyl]pyridin-2-amine;5-bromo-3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;(5-bromo-2-fluoro-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;2-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide;2-ethylpyrazole-3-carboxylic acid (PubChem CID 158060448) has the molecular formula C79H88Br5FN24O9 and a molecular weight of 1936.25 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;5-bromo-3-[1-(2-ethylpyrazol-3-yl)-2-methoxyethenyl]pyridin-2-amine;5-bromo-3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;(5-bromo-2-fluoro-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;2-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide;2-ethylpyrazole-3-carboxylic acid.

Molecular Properties

• Compound Name: (2-amino-5-bromo-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;5-bromo-3-[1-(2-ethylpyrazol-3-yl)-2-methoxyethenyl]pyridin-2-amine;5-bromo-3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;(5-bromo-2-fluoro-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;2-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide;2-ethylpyrazole-3-carboxylic acid
• PubChem CID: 158060448
• Molecular Formula: C79H88Br5FN24O9
• Molecular Weight: 1936.25 g/mol
• Exact Mass: 1930.31
• IUPAC Name: (2-amino-5-bromo-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;5-bromo-3-[1-(2-ethylpyrazol-3-yl)-2-methoxyethenyl]pyridin-2-amine;5-bromo-3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;(5-bromo-2-fluoro-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;2-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide;2-ethylpyrazole-3-carboxylic acid
• SMILES: CCn1nccc1-c1c[nH]c2ncc(Br)cc12.CCn1nccc1-c1cn(COC(=O)C(C)(C)C)c2ncc(Br)cc12.CCn1nccc1C(=COC)c1cc(Br)cnc1N.CCn1nccc1C(=O)N(C)OC.CCn1nccc1C(=O)O.CCn1nccc1C(=O)c1cc(Br)cnc1F.CCn1nccc1C(=O)c1cc(Br)cnc1N
• InChI: InChI=1S/C18H21BrN4O2.C13H15BrN4O.C12H11BrN4.C11H9BrFN3O.C11H11BrN4O.C8H13N3O2.C6H8N2O2/c1-5-23-15(6-7-21-23)14-10-22(11-25-17(24)18(2,3)4)16-13(14)8-12(19)9-20-16;1-3-18-12(4-5-17-18)11(8-19-2)10-6-9(14)7-16-13(10)15;1-2-17-11(3-4-16-17)10-7-15-12-9(10)5-8(13)6-14-12;2*1-2-16-9(3-4-15-16)10(17)8-5-7(12)6-14-11(8)13;1-4-11-7(5-6-9-11)8(12)10(2)13-3;1-2-8-5(6(9)10)3-4-7-8/h6-10H,5,11H2,1-4H3;4-8H,3H2,1-2H3,(H2,15,16);3-7H,2H2,1H3,(H,14,15);3-6H,2H2,1H3;3-6H,2H2,1H3,(H2,13,14);5-6H,4H2,1-3H3;3-4H,2H2,1H3,(H,9,10)
• InChIKey: FKOQNXWFJYKFIA-UHFFFAOYSA-N
• XLogP: 15.56
• TPSA: 398.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1936.25
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;5-bromo-3-[1-(2-ethylpyrazol-3-yl)-2-methoxyethenyl]pyridin-2-amine;5-bromo-3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;(5-bromo-2-fluoro-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;2-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide;2-ethylpyrazole-3-carboxylic acid?

The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;5-bromo-3-[1-(2-ethylpyrazol-3-yl)-2-methoxyethenyl]pyridin-2-amine;5-bromo-3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;(5-bromo-2-fluoro-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;2-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide;2-ethylpyrazole-3-carboxylic acid (CID 158060448) is (2-amino-5-bromo-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;5-bromo-3-[1-(2-ethylpyrazol-3-yl)-2-methoxyethenyl]pyridin-2-amine;5-bromo-3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;(5-bromo-2-fluoro-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;2-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide;2-ethylpyrazole-3-carboxylic acid.

What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;5-bromo-3-[1-(2-ethylpyrazol-3-yl)-2-methoxyethenyl]pyridin-2-amine;5-bromo-3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;(5-bromo-2-fluoro-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;2-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide;2-ethylpyrazole-3-carboxylic acid?

The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;5-bromo-3-[1-(2-ethylpyrazol-3-yl)-2-methoxyethenyl]pyridin-2-amine;5-bromo-3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;(5-bromo-2-fluoro-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;2-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide;2-ethylpyrazole-3-carboxylic acid is CCn1nccc1-c1c[nH]c2ncc(Br)cc12.CCn1nccc1-c1cn(COC(=O)C(C)(C)C)c2ncc(Br)cc12.CCn1nccc1C(=COC)c1cc(Br)cnc1N.CCn1nccc1C(=O)N(C)OC.CCn1nccc1C(=O)O.CCn1nccc1C(=O)c1cc(Br)cnc1F.CCn1nccc1C(=O)c1cc(Br)cnc1N.

What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;5-bromo-3-[1-(2-ethylpyrazol-3-yl)-2-methoxyethenyl]pyridin-2-amine;5-bromo-3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;(5-bromo-2-fluoro-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;2-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide;2-ethylpyrazole-3-carboxylic acid?

The InChIKey is FKOQNXWFJYKFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O2.C13H15BrN4O.C12H11BrN4.C11H9BrFN3O.C11H11BrN4O.C8H13N3O2.C6H8N2O2/c1-5-23-15(6-7-21-23)14-10-22(11-25-17(24)18(2,3)4)16-13(14)8-12(19)9-20-16;1-3-18-12(4-5-17-18)11(8-19-2)10-6-9(14)7-16-13(10)15;1-2-17-11(3-4-16-17)10-7-15-12-9(10)5-8(13)6-14-12;2*1-2-16-9(3-4-15-16)10(17)8-5-7(12)6-14-11(8)13;1-4-11-7(5-6-9-11)8(12)10(2)13-3;1-2-8-5(6(9)10)3-4-7-8/h6-10H,5,11H2,1-4H3;4-8H,3H2,1-2H3,(H2,15,16);3-7H,2H2,1H3,(H,14,15);3-6H,2H2,1H3;3-6H,2H2,1H3,(H2,13,14);5-6H,4H2,1-3H3;3-4H,2H2,1H3,(H,9,10).

What are the key properties of (2-amino-5-bromo-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;5-bromo-3-[1-(2-ethylpyrazol-3-yl)-2-methoxyethenyl]pyridin-2-amine;5-bromo-3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;(5-bromo-2-fluoro-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;2-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide;2-ethylpyrazole-3-carboxylic acid?

(2-amino-5-bromo-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;5-bromo-3-[1-(2-ethylpyrazol-3-yl)-2-methoxyethenyl]pyridin-2-amine;5-bromo-3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;(5-bromo-2-fluoro-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;2-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide;2-ethylpyrazole-3-carboxylic acid has a molecular weight of 1936.25 g/mol, XLogP of 15.56, 21 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-5-bromo-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;5-bromo-3-[1-(2-ethylpyrazol-3-yl)-2-methoxyethenyl]pyridin-2-amine;5-bromo-3-(2-ethylpyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine;[5-bromo-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;(5-bromo-2-fluoro-3-pyridinyl)-(2-ethylpyrazol-3-yl)methanone;2-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide;2-ethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 158060448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).