(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol

C15H17F3N4O — CID 138499373

IUPAC(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol
SMILESC=CCCn1cc(-c2cnc(N)c(C(F)(F)F)c2)nc1[C@H](C)O
InChIInChI=1S/C15H17F3N4O/c1-3-4-5-22-8-12(21-14(22)9(2)23)10-6-11(15(16,17)18)13(19)20-7-10/h3,6-9,23H,1,4-5H2,2H3,(H2,19,20)/t9-/m0/s1
InChIKeyIHIVVIJADXTNIT-VIFPVBQESA-N
MW326.32 g/mol
LogP3.18
Rot. Bonds5

About (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol

(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol (PubChem CID 138499373) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol
PubChem CID138499373
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol
SMILESC=CCCn1cc(-c2cnc(N)c(C(F)(F)F)c2)nc1[C@H](C)O
InChIInChI=1S/C15H17F3N4O/c1-3-4-5-22-8-12(21-14(22)9(2)23)10-6-11(15(16,17)18)13(19)20-7-10/h3,6-9,23H,1,4-5H2,2H3,(H2,19,20)/t9-/m0/s1
InChIKeyIHIVVIJADXTNIT-VIFPVBQESA-N
XLogP3.18
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[1-[5-(1-bicyclo[1.1.1]pentanyl)pentyl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 135349817
5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280986
5-[1-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134299117
1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 134280854
5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134299194
5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine
CID 142298603
1-[(1R,5S,6R)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-propan-2-ylimidazol-1-yl]-3-azatricyclo[3.1.0.02,6]hexan-3-yl]ethanone
CID 134299184
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]propanamide
CID 59252057
5-(1,2-dicyclopropylimidazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 134280965
5-[1-(cyclopropylmethyl)-2-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280868
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-ethenylimidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251989
5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one
CID 91801791

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol?
The IUPAC name of (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol (CID 138499373) is (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol?
The canonical SMILES for (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol is C=CCCn1cc(-c2cnc(N)c(C(F)(F)F)c2)nc1[C@H](C)O.
What is the InChIKey of (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol?
The InChIKey is IHIVVIJADXTNIT-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-3-4-5-22-8-12(21-14(22)9(2)23)10-6-11(15(16,17)18)13(19)20-7-10/h3,6-9,23H,1,4-5H2,2H3,(H2,19,20)/t9-/m0/s1.
What are the key properties of (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol?
(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol has a molecular weight of 326.32 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-but-3-enylimidazol-2-yl]ethanol is sourced from PubChem (CID 138499373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).