4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-(2-methyl-1H-imidazol-5-yl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-methyl-1H-imidazole-5-carboxylic acid;hydrochloride

C56H63ClF8N10O8 — CID 162151828

About 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-(2-methyl-1H-imidazol-5-yl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-methyl-1H-imidazole-5-carboxylic acid;hydrochloride

4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-(2-methyl-1H-imidazol-5-yl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-methyl-1H-imidazole-5-carboxylic acid;hydrochloride (PubChem CID 162151828) has the molecular formula C56H63ClF8N10O8 and a molecular weight of 1191.62 g/mol. Its IUPAC name is 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-(2-methyl-1H-imidazol-5-yl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-methyl-1H-imidazole-5-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-(2-methyl-1H-imidazol-5-yl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-methyl-1H-imidazole-5-carboxylic acid;hydrochloride
• PubChem CID: 162151828
• Molecular Formula: C56H63ClF8N10O8
• Molecular Weight: 1191.62 g/mol
• Exact Mass: 1190.44
• IUPAC Name: 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-(2-methyl-1H-imidazol-5-yl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-methyl-1H-imidazole-5-carboxylic acid;hydrochloride
• SMILES: Cc1ncc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)cc3)n2)C(F)(F)F)[nH]1.Cc1ncc(C(=O)CCC(O)(c2cc(C(C)(C)NC(=O)OC(C)(C)C)cc(-c3ccc(F)cc3)n2)C(F)(F)F)[nH]1.Cc1ncc(C(=O)O)[nH]1.Cl
• InChI: InChI=1S/C28H32F4N4O4.C23H24F4N4O2.C5H6N2O2.ClH/c1-16-33-15-21(34-16)22(37)11-12-27(39,28(30,31)32)23-14-18(26(5,6)36-24(38)40-25(2,3)4)13-20(35-23)17-7-9-19(29)10-8-17;1-13-29-12-18(30-13)19(32)8-9-22(33,23(25,26)27)20-11-15(21(2,3)28)10-17(31-20)14-4-6-16(24)7-5-14;1-3-6-2-4(7-3)5(8)9;/h7-10,13-15,39H,11-12H2,1-6H3,(H,33,34)(H,36,38);4-7,10-12,33H,8-9,28H2,1-3H3,(H,29,30);2H,1H3,(H,6,7)(H,8,9);1H
• InChIKey: MGKBRNIEMBXGHS-UHFFFAOYSA-N
• XLogP: 11.46
• TPSA: 288.07 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1191.62
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-(2-methyl-1H-imidazol-5-yl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-methyl-1H-imidazole-5-carboxylic acid;hydrochloride?

The IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-(2-methyl-1H-imidazol-5-yl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-methyl-1H-imidazole-5-carboxylic acid;hydrochloride (CID 162151828) is 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-(2-methyl-1H-imidazol-5-yl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-methyl-1H-imidazole-5-carboxylic acid;hydrochloride.

What is the SMILES notation for 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-(2-methyl-1H-imidazol-5-yl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-methyl-1H-imidazole-5-carboxylic acid;hydrochloride?

The canonical SMILES for 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-(2-methyl-1H-imidazol-5-yl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-methyl-1H-imidazole-5-carboxylic acid;hydrochloride is Cc1ncc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)cc3)n2)C(F)(F)F)[nH]1.Cc1ncc(C(=O)CCC(O)(c2cc(C(C)(C)NC(=O)OC(C)(C)C)cc(-c3ccc(F)cc3)n2)C(F)(F)F)[nH]1.Cc1ncc(C(=O)O)[nH]1.Cl.

What is the InChIKey of 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-(2-methyl-1H-imidazol-5-yl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-methyl-1H-imidazole-5-carboxylic acid;hydrochloride?

The InChIKey is MGKBRNIEMBXGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F4N4O4.C23H24F4N4O2.C5H6N2O2.ClH/c1-16-33-15-21(34-16)22(37)11-12-27(39,28(30,31)32)23-14-18(26(5,6)36-24(38)40-25(2,3)4)13-20(35-23)17-7-9-19(29)10-8-17;1-13-29-12-18(30-13)19(32)8-9-22(33,23(25,26)27)20-11-15(21(2,3)28)10-17(31-20)14-4-6-16(24)7-5-14;1-3-6-2-4(7-3)5(8)9;/h7-10,13-15,39H,11-12H2,1-6H3,(H,33,34)(H,36,38);4-7,10-12,33H,8-9,28H2,1-3H3,(H,29,30);2H,1H3,(H,6,7)(H,8,9);1H.

What are the key properties of 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-(2-methyl-1H-imidazol-5-yl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-methyl-1H-imidazole-5-carboxylic acid;hydrochloride?

4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-(2-methyl-1H-imidazol-5-yl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-methyl-1H-imidazole-5-carboxylic acid;hydrochloride has a molecular weight of 1191.62 g/mol, XLogP of 11.46, 16 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one;tert-butyl N-[2-[2-(4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-5-(2-methyl-1H-imidazol-5-yl)-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-methyl-1H-imidazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 162151828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).