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

C23H25F3N4O2 — CID 159575719

IUPAC4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one
SMILESCc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cnc[nH]3)C(F)(F)F)n2)cc1
InChIInChI=1S/C23H25F3N4O2/c1-14-4-6-15(7-5-14)17-10-16(21(2,3)27)11-20(30-17)22(32,23(24,25)26)9-8-19(31)18-12-28-13-29-18/h4-7,10-13,32H,8-9,27H2,1-3H3,(H,28,29)
InChIKeyUZPWDNORHVFQSB-UHFFFAOYSA-N
MW446.47 g/mol
LogP4.39
Rot. Bonds7

About 4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(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-(1H-imidazol-5-yl)pentan-1-one (PubChem CID 159575719) has the molecular formula C23H25F3N4O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is 4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(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-(1H-imidazol-5-yl)pentan-1-one
PubChem CID159575719
Molecular FormulaC23H25F3N4O2
Molecular Weight446.47 g/mol
Exact Mass446.19
IUPAC Name4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(1H-imidazol-5-yl)pentan-1-one
SMILESCc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cnc[nH]3)C(F)(F)F)n2)cc1
InChIInChI=1S/C23H25F3N4O2/c1-14-4-6-15(7-5-14)17-10-16(21(2,3)27)11-20(30-17)22(32,23(24,25)26)9-8-19(31)18-12-28-13-29-18/h4-7,10-13,32H,8-9,27H2,1-3H3,(H,28,29)
InChIKeyUZPWDNORHVFQSB-UHFFFAOYSA-N
XLogP4.39
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 54.39
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-(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-[3-(4-tert-butylaminocarbonylphenyl)-3-(4-trifluoromethylphenyl)-3-hydroxypropyl]-1H-imidazole
CID 19422016
4-[5-methyl-2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid
CID 22713636
4-[5-methyl-2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid
CID 22713657
5-(4-(trifluoromethyl)phenyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-imidazole-4-carboxylic acid
CID 58625837
5-[2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-(trifluoromethyl)benzoic acid
CID 68274028
5-(2-aminopyrimidin-4-yl)-2-[2-ethyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylic acid
CID 70979457
5-(2-aminopyrimidin-4-yl)-2-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxylic acid
CID 70979837

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-(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-(1H-imidazol-5-yl)pentan-1-one (CID 159575719) is 4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(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-(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-(1H-imidazol-5-yl)pentan-1-one is Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3cnc[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-(1H-imidazol-5-yl)pentan-1-one?
The InChIKey is UZPWDNORHVFQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2/c1-14-4-6-15(7-5-14)17-10-16(21(2,3)27)11-20(30-17)22(32,23(24,25)26)9-8-19(31)18-12-28-13-29-18/h4-7,10-13,32H,8-9,27H2,1-3H3,(H,28,29).
What are the key properties of 4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-(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-(1H-imidazol-5-yl)pentan-1-one has a molecular weight of 446.47 g/mol, XLogP of 4.39, 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-(1H-imidazol-5-yl)pentan-1-one is sourced from PubChem (CID 159575719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).