(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one

C181H184F30N36O11 — CID 158938230

IUPAC(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
SMILESCCc1cn2c(n1)CN(C(=O)C[C@H](N)Cc1ccc(F)c(F)c1)CC2.COc1ccc(-c2cn3c(n2)CN(C(=O)C[C@H](N)Cc2ccc(F)c(F)c2)CC3)cc1.N[C@@H](CC(=O)N1CCn2cc(-c3ccc(F)c(F)c3)nc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2cc(-c3ccc(F)cc3)nc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2cc(-c3ccc(OC(F)(F)F)cc3)nc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2cc(-c3ccccc3)nc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2cc(C(F)(F)C(F)(F)F)nc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2cc(C(F)(F)F)nc2C1)Cc1ccccc1F.N[C@@H](CC(=O)N1CCn2ccnc2C1)Cc1ccccc1F
InChIInChI=1S/C23H21F5N4O2.C23H24F2N4O2.C22H20F4N4O.C22H21F3N4O.C22H22F2N4O.C18H17F7N4O.C18H22F2N4O.C17H18F4N4O.C16H19FN4O/c24-18-6-1-14(10-19(18)25)9-16(29)11-22(33)32-8-7-31-12-20(30-21(31)13-32)15-2-4-17(5-3-15)34-23(26,27)28;1-31-18-5-3-16(4-6-18)21-13-28-8-9-29(14-22(28)27-21)23(30)12-17(26)10-15-2-7-19(24)20(25)11-15;23-16-3-1-13(8-18(16)25)7-15(27)10-22(31)30-6-5-29-11-20(28-21(29)12-30)14-2-4-17(24)19(26)9-14;23-16-4-2-15(3-5-16)20-12-28-7-8-29(13-21(28)27-20)22(30)11-17(26)9-14-1-6-18(24)19(25)10-14;23-18-7-6-15(11-19(18)24)10-17(25)12-22(29)28-9-8-27-13-20(26-21(27)14-28)16-4-2-1-3-5-16;19-12-2-1-10(6-13(12)20)5-11(26)7-16(30)29-4-3-28-8-14(27-15(28)9-29)17(21,22)18(23,24)25;1-2-14-10-23-5-6-24(11-17(23)22-14)18(25)9-13(21)7-12-3-4-15(19)16(20)8-12;18-13-4-2-1-3-11(13)7-12(22)8-16(26)25-6-5-24-9-14(17(19,20)21)23-15(24)10-25;17-14-4-2-1-3-12(14)9-13(18)10-16(22)21-8-7-20-6-5-19-15(20)11-21/h1-6,10,12,16H,7-9,11,13,29H2;2-7,11,13,17H,8-10,12,14,26H2,1H3;1-4,8-9,11,15H,5-7,10,12,27H2;1-6,10,12,17H,7-9,11,13,26H2;1-7,11,13,17H,8-10,12,14,25H2;1-2,6,8,11H,3-5,7,9,26H2;3-4,8,10,13H,2,5-7,9,11,21H2,1H3;1-4,9,12H,5-8,10,22H2;1-6,13H,7-11,18H2/t16-;17-;15-;2*17-;11-;13-;12-;13-/m111111111/s1
InChIKeyJJXNWJUDDIEEPA-MWJDIWKHSA-N
MW3609.64 g/mol
LogP25.79
Rot. Bonds45

About (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one

(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one (PubChem CID 158938230) has the molecular formula C181H184F30N36O11 and a molecular weight of 3609.64 g/mol. Its IUPAC name is (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
PubChem CID158938230
Molecular FormulaC181H184F30N36O11
Molecular Weight3609.64 g/mol
Exact Mass3607.45
IUPAC Name(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one
SMILESCCc1cn2c(n1)CN(C(=O)C[C@H](N)Cc1ccc(F)c(F)c1)CC2.COc1ccc(-c2cn3c(n2)CN(C(=O)C[C@H](N)Cc2ccc(F)c(F)c2)CC3)cc1.N[C@@H](CC(=O)N1CCn2cc(-c3ccc(F)c(F)c3)nc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2cc(-c3ccc(F)cc3)nc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2cc(-c3ccc(OC(F)(F)F)cc3)nc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2cc(-c3ccccc3)nc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2cc(C(F)(F)C(F)(F)F)nc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2cc(C(F)(F)F)nc2C1)Cc1ccccc1F.N[C@@H](CC(=O)N1CCn2ccnc2C1)Cc1ccccc1F
InChIInChI=1S/C23H21F5N4O2.C23H24F2N4O2.C22H20F4N4O.C22H21F3N4O.C22H22F2N4O.C18H17F7N4O.C18H22F2N4O.C17H18F4N4O.C16H19FN4O/c24-18-6-1-14(10-19(18)25)9-16(29)11-22(33)32-8-7-31-12-20(30-21(31)13-32)15-2-4-17(5-3-15)34-23(26,27)28;1-31-18-5-3-16(4-6-18)21-13-28-8-9-29(14-22(28)27-21)23(30)12-17(26)10-15-2-7-19(24)20(25)11-15;23-16-3-1-13(8-18(16)25)7-15(27)10-22(31)30-6-5-29-11-20(28-21(29)12-30)14-2-4-17(24)19(26)9-14;23-16-4-2-15(3-5-16)20-12-28-7-8-29(13-21(28)27-20)22(30)11-17(26)9-14-1-6-18(24)19(25)10-14;23-18-7-6-15(11-19(18)24)10-17(25)12-22(29)28-9-8-27-13-20(26-21(27)14-28)16-4-2-1-3-5-16;19-12-2-1-10(6-13(12)20)5-11(26)7-16(30)29-4-3-28-8-14(27-15(28)9-29)17(21,22)18(23,24)25;1-2-14-10-23-5-6-24(11-17(23)22-14)18(25)9-13(21)7-12-3-4-15(19)16(20)8-12;18-13-4-2-1-3-11(13)7-12(22)8-16(26)25-6-5-24-9-14(17(19,20)21)23-15(24)10-25;17-14-4-2-1-3-12(14)9-13(18)10-16(22)21-8-7-20-6-5-19-15(20)11-21/h1-6,10,12,16H,7-9,11,13,29H2;2-7,11,13,17H,8-10,12,14,26H2,1H3;1-4,8-9,11,15H,5-7,10,12,27H2;1-6,10,12,17H,7-9,11,13,26H2;1-7,11,13,17H,8-10,12,14,25H2;1-2,6,8,11H,3-5,7,9,26H2;3-4,8,10,13H,2,5-7,9,11,21H2,1H3;1-4,9,12H,5-8,10,22H2;1-6,13H,7-11,18H2/t16-;17-;15-;2*17-;11-;13-;12-;13-/m111111111/s1
InChIKeyJJXNWJUDDIEEPA-MWJDIWKHSA-N
XLogP25.79
TPSA595.81 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds45
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003609.64
LogP ≤ 525.79
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one with MolForge

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What is the IUPAC name of (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
The IUPAC name of (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one (CID 158938230) is (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one.
What is the SMILES notation for (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
The canonical SMILES for (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one is CCc1cn2c(n1)CN(C(=O)C[C@H](N)Cc1ccc(F)c(F)c1)CC2.COc1ccc(-c2cn3c(n2)CN(C(=O)C[C@H](N)Cc2ccc(F)c(F)c2)CC3)cc1.N[C@@H](CC(=O)N1CCn2cc(-c3ccc(F)c(F)c3)nc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2cc(-c3ccc(F)cc3)nc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2cc(-c3ccc(OC(F)(F)F)cc3)nc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2cc(-c3ccccc3)nc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2cc(C(F)(F)C(F)(F)F)nc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2cc(C(F)(F)F)nc2C1)Cc1ccccc1F.N[C@@H](CC(=O)N1CCn2ccnc2C1)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
The InChIKey is JJXNWJUDDIEEPA-MWJDIWKHSA-N. The full InChI is InChI=1S/C23H21F5N4O2.C23H24F2N4O2.C22H20F4N4O.C22H21F3N4O.C22H22F2N4O.C18H17F7N4O.C18H22F2N4O.C17H18F4N4O.C16H19FN4O/c24-18-6-1-14(10-19(18)25)9-16(29)11-22(33)32-8-7-31-12-20(30-21(31)13-32)15-2-4-17(5-3-15)34-23(26,27)28;1-31-18-5-3-16(4-6-18)21-13-28-8-9-29(14-22(28)27-21)23(30)12-17(26)10-15-2-7-19(24)20(25)11-15;23-16-3-1-13(8-18(16)25)7-15(27)10-22(31)30-6-5-29-11-20(28-21(29)12-30)14-2-4-17(24)19(26)9-14;23-16-4-2-15(3-5-16)20-12-28-7-8-29(13-21(28)27-20)22(30)11-17(26)9-14-1-6-18(24)19(25)10-14;23-18-7-6-15(11-19(18)24)10-17(25)12-22(29)28-9-8-27-13-20(26-21(27)14-28)16-4-2-1-3-5-16;19-12-2-1-10(6-13(12)20)5-11(26)7-16(30)29-4-3-28-8-14(27-15(28)9-29)17(21,22)18(23,24)25;1-2-14-10-23-5-6-24(11-17(23)22-14)18(25)9-13(21)7-12-3-4-15(19)16(20)8-12;18-13-4-2-1-3-11(13)7-12(22)8-16(26)25-6-5-24-9-14(17(19,20)21)23-15(24)10-25;17-14-4-2-1-3-12(14)9-13(18)10-16(22)21-8-7-20-6-5-19-15(20)11-21/h1-6,10,12,16H,7-9,11,13,29H2;2-7,11,13,17H,8-10,12,14,26H2,1H3;1-4,8-9,11,15H,5-7,10,12,27H2;1-6,10,12,17H,7-9,11,13,26H2;1-7,11,13,17H,8-10,12,14,25H2;1-2,6,8,11H,3-5,7,9,26H2;3-4,8,10,13H,2,5-7,9,11,21H2,1H3;1-4,9,12H,5-8,10,22H2;1-6,13H,7-11,18H2/t16-;17-;15-;2*17-;11-;13-;12-;13-/m111111111/s1.
What are the key properties of (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one?
(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one has a molecular weight of 3609.64 g/mol, XLogP of 25.79, 45 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(3,4-difluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[2-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-4-(2-fluorophenyl)-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one is sourced from PubChem (CID 158938230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).