(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride

C19H20ClF5N4O — CID 131738206

IUPAC(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride
SMILESC=Cc1c(C(F)(F)F)nc2n1CCN(C(=O)C[C@H](N)Cc1cc(F)ccc1F)C2.Cl
InChIInChI=1S/C19H19F5N4O.ClH/c1-2-15-18(19(22,23)24)26-16-10-27(5-6-28(15)16)17(29)9-13(25)8-11-7-12(20)3-4-14(11)21;/h2-4,7,13H,1,5-6,8-10,25H2;1H/t13-;/m1./s1
InChIKeyFGMPXQLHTAVTRK-BTQNPOSSSA-N
MW450.84 g/mol
LogP3.55
Rot. Bonds5

About (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride

(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride (PubChem CID 131738206) has the molecular formula C19H20ClF5N4O and a molecular weight of 450.84 g/mol. Its IUPAC name is (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride
PubChem CID131738206
Molecular FormulaC19H20ClF5N4O
Molecular Weight450.84 g/mol
Exact Mass450.12
IUPAC Name(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride
SMILESC=Cc1c(C(F)(F)F)nc2n1CCN(C(=O)C[C@H](N)Cc1cc(F)ccc1F)C2.Cl
InChIInChI=1S/C19H19F5N4O.ClH/c1-2-15-18(19(22,23)24)26-16-10-27(5-6-28(15)16)17(29)9-13(25)8-11-7-12(20)3-4-14(11)21;/h2-4,7,13H,1,5-6,8-10,25H2;1H/t13-;/m1./s1
InChIKeyFGMPXQLHTAVTRK-BTQNPOSSSA-N
XLogP3.55
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride with MolForge

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Related Compounds

(3R)-3-amino-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 10252219
3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
CID 20628250
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
CID 10200270
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one;phosphoric acid
CID 71253039
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]butan-1-one;2,2,2-trifluoroacetaldehyde
CID 158988484
3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;formaldehyde
CID 143429048
(3R)-3-amino-1-(3-amino-2-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2,4-difluorophenyl)butan-1-one
CID 140514400
7-[(3S)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-[4-(dimethylamino)phenyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 78427999
N-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-4-fluorobenzamide;hydrochloride
CID 174601891
3-amino-4-(2,5-difluorophenyl)-1-[2-[6-(trifluoromethyl)-3-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one
CID 18456533
(3R)-3-amino-4-(3,4-difluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one;hydrochloride
CID 11487118
4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-1,4-diazepan-2-one
CID 10403178

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride?
The IUPAC name of (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride (CID 131738206) is (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride.
What is the SMILES notation for (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride?
The canonical SMILES for (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride is C=Cc1c(C(F)(F)F)nc2n1CCN(C(=O)C[C@H](N)Cc1cc(F)ccc1F)C2.Cl.
What is the InChIKey of (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride?
The InChIKey is FGMPXQLHTAVTRK-BTQNPOSSSA-N. The full InChI is InChI=1S/C19H19F5N4O.ClH/c1-2-15-18(19(22,23)24)26-16-10-27(5-6-28(15)16)17(29)9-13(25)8-11-7-12(20)3-4-14(11)21;/h2-4,7,13H,1,5-6,8-10,25H2;1H/t13-;/m1./s1.
What are the key properties of (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride?
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride has a molecular weight of 450.84 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-ethenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 131738206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).