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

C23H24F4N4O2 — CID 162151829

IUPAC4-[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
SMILESCc1ncc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)cc3)n2)C(F)(F)F)[nH]1
InChIInChI=1S/C23H24F4N4O2/c1-13-29-12-18(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/h4-7,10-12,33H,8-9,28H2,1-3H3,(H,29,30)
InChIKeyHBYYMYOUPZEWFW-UHFFFAOYSA-N
MW464.46 g/mol
LogP4.53
Rot. Bonds7

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

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 (PubChem CID 162151829) has the molecular formula C23H24F4N4O2 and a molecular weight of 464.46 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.

Molecular Properties

Compound Name4-[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
PubChem CID162151829
Molecular FormulaC23H24F4N4O2
Molecular Weight464.46 g/mol
Exact Mass464.18
IUPAC Name4-[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
SMILESCc1ncc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)cc3)n2)C(F)(F)F)[nH]1
InChIInChI=1S/C23H24F4N4O2/c1-13-29-12-18(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/h4-7,10-12,33H,8-9,28H2,1-3H3,(H,29,30)
InChIKeyHBYYMYOUPZEWFW-UHFFFAOYSA-N
XLogP4.53
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

3-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)picolinic acid
CID 46885312
6-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)picolinic acid
CID 46885313
N-butyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-phenyl-3-(pyridin-3-ylmethyl)imidazole-4-carboxamide
CID 10120868
N-butyl-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-propyl-5-pyridin-3-ylimidazole-4-carboxamide
CID 10301936
N-[N-[3-(4-fluorophenyl)-3-hydroxy-3-pyridin-2-ylpropyl]-N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]benzamide
CID 14126576
4-[2-amino-5-[3-fluoro-5-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid
CID 22713642
5-(4-(trifluoromethyl)phenyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-imidazole-4-carboxylic acid
CID 58625837
3-[2-[2-(dimethylamino)ethyl]-4-pyridin-4-yl-1H-imidazol-5-yl]-2-fluorobenzoic acid
CID 68274006
3-[2-[2-(dimethylamino)ethyl]-4-pyridin-4-yl-1H-imidazol-5-yl]-4-fluorobenzoic acid
CID 68274018
3-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-5-fluorobenzoic acid
CID 68274019
5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-(trifluoromethyl)benzoic acid
CID 68274028
5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-fluorobenzoic acid
CID 68274035

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?
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 (CID 162151829) 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.
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?
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 is Cc1ncc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)cc3)n2)C(F)(F)F)[nH]1.
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?
The InChIKey is HBYYMYOUPZEWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N4O2/c1-13-29-12-18(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/h4-7,10-12,33H,8-9,28H2,1-3H3,(H,29,30).
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?
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 has a molecular weight of 464.46 g/mol, XLogP of 4.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 162151829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).