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1174122-54-3 | Imidazo[1,5-a]pyrazine-1-carboxylic acid, 7-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-, methyl ester
CAS No: 1174122-54-3 Catalog No: AG000E9J MDL No:
Product Description
Catalog Number:
AG000E9J
Chemical Name:
Imidazo[1,5-a]pyrazine-1-carboxylic acid, 7-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-, methyl ester
CAS Number:
1174122-54-3
Molecular Formula:
C19H18F6N4O3
Molecular Weight:
464.3616
IUPAC Name:
methyl 7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate
InChI:
InChI=1S/C19H18F6N4O3/c1-32-17(31)16-14-8-28(2-3-29(14)18(27-16)19(23,24)25)15(30)6-10(26)4-9-5-12(21)13(22)7-11(9)20/h5,7,10H,2-4,6,8,26H2,1H3/t10-/m1/s1
InChI Key:
WIIAMRXFUJLYEF-SNVBAGLBSA-N
SMILES:
COC(=O)c1nc(n2c1CN(CC2)C(=O)C[C@@H](Cc1cc(F)c(cc1F)F)N)C(F)(F)F
UNII:
328C4R3P9L
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
464.128g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
464.368g/mol
Monoisotopic Mass:
464.128g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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