4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one

C24H27F3N4O2 — CID 159801541

IUPAC4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one
SMILESCc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cnc(C)[nH]3)C(F)(F)F)n2)cc1
InChIInChI=1S/C24H27F3N4O2/c1-14-5-7-16(8-6-14)18-11-17(22(3,4)28)12-21(31-18)23(33,24(25,26)27)10-9-20(32)19-13-29-15(2)30-19/h5-8,11-13,33H,9-10,28H2,1-4H3,(H,29,30)
InChIKeyZUVZSOZZOVLCLJ-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.70
Rot. Bonds7

About 4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-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-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one (PubChem CID 159801541) has the molecular formula C24H27F3N4O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is 4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-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-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one
PubChem CID159801541
Molecular FormulaC24H27F3N4O2
Molecular Weight460.50 g/mol
Exact Mass460.21
IUPAC Name4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one
SMILESCc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cnc(C)[nH]3)C(F)(F)F)n2)cc1
InChIInChI=1S/C24H27F3N4O2/c1-14-5-7-16(8-6-14)18-11-17(22(3,4)28)12-21(31-18)23(33,24(25,26)27)10-9-20(32)19-13-29-15(2)30-19/h5-8,11-13,33H,9-10,28H2,1-4H3,(H,29,30)
InChIKeyZUVZSOZZOVLCLJ-UHFFFAOYSA-N
XLogP4.70
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-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
US10738057, Example 284
CID 138562153
US10738057, Example 221
CID 138562350
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
5-[2-(3-amino-1-adamantyl)ethyl]-2-[2-(2-methylphenyl)-1H-imidazole-5-carbonyl]-3-(trifluoromethyl)benzoic acid
CID 57293555
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-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-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one (CID 159801541) is 4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-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-methylphenyl)-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-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one is Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cnc(C)[nH]3)C(F)(F)F)n2)cc1.
What is the InChIKey of 4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one?
The InChIKey is ZUVZSOZZOVLCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O2/c1-14-5-7-16(8-6-14)18-11-17(22(3,4)28)12-21(31-18)23(33,24(25,26)27)10-9-20(32)19-13-29-15(2)30-19/h5-8,11-13,33H,9-10,28H2,1-4H3,(H,29,30).
What are the key properties of 4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-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-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one has a molecular weight of 460.50 g/mol, XLogP of 4.70, 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-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(2-methyl-1H-imidazol-5-yl)pentan-1-one is sourced from PubChem (CID 159801541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).