ethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine

C20H18F4N6O2 — CID 139467151

IUPACethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
SMILESCCOC(C)=O.Fc1ccccc1Cc1nc(-c2n[nH]c(C(F)(F)F)n2)cn2ccnc12
InChIInChI=1S/C16H10F4N6.C4H8O2/c17-10-4-2-1-3-9(10)7-11-14-21-5-6-26(14)8-12(22-11)13-23-15(25-24-13)16(18,19)20;1-3-6-4(2)5/h1-6,8H,7H2,(H,23,24,25);3H2,1-2H3
InChIKeyTVYVDFATGQMUKJ-UHFFFAOYSA-N
MW450.40 g/mol
LogP3.83
Rot. Bonds4

About ethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine

ethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine (PubChem CID 139467151) has the molecular formula C20H18F4N6O2 and a molecular weight of 450.40 g/mol. Its IUPAC name is ethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Nameethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
PubChem CID139467151
Molecular FormulaC20H18F4N6O2
Molecular Weight450.40 g/mol
Exact Mass450.14
IUPAC Nameethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
SMILESCCOC(C)=O.Fc1ccccc1Cc1nc(-c2n[nH]c(C(F)(F)F)n2)cn2ccnc12
InChIInChI=1S/C16H10F4N6.C4H8O2/c17-10-4-2-1-3-9(10)7-11-14-21-5-6-26(14)8-12(22-11)13-23-15(25-24-13)16(18,19)20;1-3-6-4(2)5/h1-6,8H,7H2,(H,23,24,25);3H2,1-2H3
InChIKeyTVYVDFATGQMUKJ-UHFFFAOYSA-N
XLogP3.83
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
CID 139467739
8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
CID 134304600
CID 156868740
CID 156868740
CID 156868761
CID 156868761
N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide
CID 154003447
(5S)-4-amino-5-(4-fluoro-3-hydroxyphenyl)-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 145404344
8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid
CID 141366500
2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 171526186
5-fluoro-2-[8-[(3-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one
CID 171526354
3-(8-ethylimidazo[1,2-a]pyrazin-6-yl)-2-methylaniline
CID 90909036
sodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate
CID 166087121
8-[(2-fluorophenyl)methoxy]imidazo[1,2-a]pyrazin-6-amine
CID 80876110

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of ethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine (CID 139467151) is ethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for ethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for ethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine is CCOC(C)=O.Fc1ccccc1Cc1nc(-c2n[nH]c(C(F)(F)F)n2)cn2ccnc12.
What is the InChIKey of ethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine?
The InChIKey is TVYVDFATGQMUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N6.C4H8O2/c17-10-4-2-1-3-9(10)7-11-14-21-5-6-26(14)8-12(22-11)13-23-15(25-24-13)16(18,19)20;1-3-6-4(2)5/h1-6,8H,7H2,(H,23,24,25);3H2,1-2H3.
What are the key properties of ethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine?
ethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine has a molecular weight of 450.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139467151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).