dipotassium;ethyl 2-bromopropanoate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydride;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoyl chloride;oxido formate

C68H75BrClF17K2N16O10 — CID 159929581

About dipotassium;ethyl 2-bromopropanoate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydride;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoyl chloride;oxido formate

dipotassium;ethyl 2-bromopropanoate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydride;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoyl chloride;oxido formate (PubChem CID 159929581) has the molecular formula C68H75BrClF17K2N16O10 and a molecular weight of 1792.97 g/mol. Its IUPAC name is dipotassium;ethyl 2-bromopropanoate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydride;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoyl chloride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;ethyl 2-bromopropanoate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydride;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoyl chloride;oxido formate
• PubChem CID: 159929581
• Molecular Formula: C68H75BrClF17K2N16O10
• Molecular Weight: 1792.97 g/mol
• Exact Mass: 1790.37
• IUPAC Name: dipotassium;ethyl 2-bromopropanoate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydride;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoyl chloride;oxido formate
• SMILES: CC(=O)C(C)n1cc(C(F)(F)F)nc1C.CCOC(=O)C(C)Br.Cc1nc(C(F)(F)F)cn1C(C)C(=O)Cl.Cc1nc(C(F)(F)F)cn1C(C)C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1.Cc1nc(C(F)(F)F)cn1C(C)C(=O)O.Cc1ncc(C(F)(F)F)[nH]1.Fc1ccc(-n2ncc3c2CCCN3)cc1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C20H19F4N5O.C12H12FN3.C9H11F3N2O.C8H8ClF3N2O.C8H9F3N2O2.C5H9BrO2.C5H5F3N2.CH2O3.2K.H/c1-12(28-11-18(20(22,23)24)26-13(28)2)19(30)27-9-3-4-16-17(27)10-25-29(16)15-7-5-14(21)6-8-15;13-9-3-5-10(6-4-9)16-12-2-1-7-14-11(12)8-15-16;1-5(6(2)15)14-4-8(9(10,11)12)13-7(14)3;1-4(7(9)15)14-3-6(8(10,11)12)13-5(14)2;1-4(7(14)15)13-3-6(8(9,10)11)12-5(13)2;1-3-8-5(7)4(2)6;1-3-9-2-4(10-3)5(6,7)8;2-1-4-3;;;/h5-8,10-12H,3-4,9H2,1-2H3;3-6,8,14H,1-2,7H2;4-5H,1-3H3;3-4H,1-2H3;3-4H,1-2H3,(H,14,15);4H,3H2,1-2H3;2H,1H3,(H,9,10);1,3H;;;/q;;;;;;;;2*+1;-1/p-1
• InChIKey: LRRNGYJXZJXXKO-UHFFFAOYSA-M
• XLogP: 8.82
• TPSA: 315.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1792.97
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;ethyl 2-bromopropanoate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydride;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoyl chloride;oxido formate?

The IUPAC name of dipotassium;ethyl 2-bromopropanoate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydride;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoyl chloride;oxido formate (CID 159929581) is dipotassium;ethyl 2-bromopropanoate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydride;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoyl chloride;oxido formate.

What is the SMILES notation for dipotassium;ethyl 2-bromopropanoate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydride;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoyl chloride;oxido formate?

The canonical SMILES for dipotassium;ethyl 2-bromopropanoate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydride;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoyl chloride;oxido formate is CC(=O)C(C)n1cc(C(F)(F)F)nc1C.CCOC(=O)C(C)Br.Cc1nc(C(F)(F)F)cn1C(C)C(=O)Cl.Cc1nc(C(F)(F)F)cn1C(C)C(=O)N1CCCc2c1cnn2-c1ccc(F)cc1.Cc1nc(C(F)(F)F)cn1C(C)C(=O)O.Cc1ncc(C(F)(F)F)[nH]1.Fc1ccc(-n2ncc3c2CCCN3)cc1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;ethyl 2-bromopropanoate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydride;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoyl chloride;oxido formate?

The InChIKey is LRRNGYJXZJXXKO-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H19F4N5O.C12H12FN3.C9H11F3N2O.C8H8ClF3N2O.C8H9F3N2O2.C5H9BrO2.C5H5F3N2.CH2O3.2K.H/c1-12(28-11-18(20(22,23)24)26-13(28)2)19(30)27-9-3-4-16-17(27)10-25-29(16)15-7-5-14(21)6-8-15;13-9-3-5-10(6-4-9)16-12-2-1-7-14-11(12)8-15-16;1-5(6(2)15)14-4-8(9(10,11)12)13-7(14)3;1-4(7(9)15)14-3-6(8(10,11)12)13-5(14)2;1-4(7(14)15)13-3-6(8(9,10)11)12-5(13)2;1-3-8-5(7)4(2)6;1-3-9-2-4(10-3)5(6,7)8;2-1-4-3;;;/h5-8,10-12H,3-4,9H2,1-2H3;3-6,8,14H,1-2,7H2;4-5H,1-3H3;3-4H,1-2H3;3-4H,1-2H3,(H,14,15);4H,3H2,1-2H3;2H,1H3,(H,9,10);1,3H;;;/q;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;ethyl 2-bromopropanoate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydride;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoyl chloride;oxido formate?

dipotassium;ethyl 2-bromopropanoate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydride;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoyl chloride;oxido formate has a molecular weight of 1792.97 g/mol, XLogP of 8.82, 13 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;ethyl 2-bromopropanoate;1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one;1-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydride;2-methyl-5-(trifluoromethyl)-1H-imidazole;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-2-one;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoic acid;2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanoyl chloride;oxido formate is sourced from PubChem (CID 159929581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).