(3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(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;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one);(3R)-3-amino-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one

C129H147F21N38O8 — CID 162123585

IUPAC(3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(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;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one);(3R)-3-amino-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
SMILESCc1nnc2n1CCN(C(=O)C[C@H](N)Cc1cc(F)ccc1F)C2.Cc1nnc2n1CCN(C(=O)C[C@H](N)Cc1ccc(F)c(F)c1)C2.Cc1nnc2n1CCN(C(=O)C[C@H](N)Cc1ccccc1F)C2.Cc1nnc2n1CCN(C(=O)C[C@H](N)Cc1ccccc1F)C2.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1ccc(C(F)(F)F)cc1F.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2ccnc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2ccnc2C1)Cc1ccccc1F
InChIInChI=1S/C17H16F7N5O.C16H16F5N5O.2C16H19F2N5O.C16H18F2N4O.2C16H20FN5O.C16H19FN4O/c18-12-6-10(16(19,20)21)2-1-9(12)5-11(25)7-14(30)28-3-4-29-13(8-28)26-27-15(29)17(22,23)24;17-11-2-1-9(6-12(11)18)5-10(22)7-14(27)25-3-4-26-13(8-25)23-24-15(26)16(19,20)21;1-10-20-21-15-9-22(4-5-23(10)15)16(24)8-13(19)7-11-6-12(17)2-3-14(11)18;1-10-20-21-15-9-22(4-5-23(10)15)16(24)8-12(19)6-11-2-3-13(17)14(18)7-11;17-13-2-1-11(8-14(13)18)7-12(19)9-16(23)22-6-5-21-4-3-20-15(21)10-22;2*1-11-19-20-15-10-21(6-7-22(11)15)16(23)9-13(18)8-12-4-2-3-5-14(12)17;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/h1-2,6,11H,3-5,7-8,25H2;1-2,6,10H,3-5,7-8,22H2;2-3,6,13H,4-5,7-9,19H2,1H3;2-3,7,12H,4-6,8-9,19H2,1H3;1-4,8,12H,5-7,9-10,19H2;2*2-5,13H,6-10,18H2,1H3;1-6,13H,7-11,18H2/t11-;10-;13-;2*12-;3*13-/m11111111/s1
InChIKeyZHSSOVWQAUUCFK-IUMZXLCGSA-N
MW2756.81 g/mol
LogP11.81
Rot. Bonds32

About (3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(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;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one);(3R)-3-amino-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one

(3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(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;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one);(3R)-3-amino-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one (PubChem CID 162123585) has the molecular formula C129H147F21N38O8 and a molecular weight of 2756.81 g/mol. Its IUPAC name is (3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(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;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one);(3R)-3-amino-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(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;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one);(3R)-3-amino-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
PubChem CID162123585
Molecular FormulaC129H147F21N38O8
Molecular Weight2756.81 g/mol
Exact Mass2755.19
IUPAC Name(3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(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;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one);(3R)-3-amino-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
SMILESCc1nnc2n1CCN(C(=O)C[C@H](N)Cc1cc(F)ccc1F)C2.Cc1nnc2n1CCN(C(=O)C[C@H](N)Cc1ccc(F)c(F)c1)C2.Cc1nnc2n1CCN(C(=O)C[C@H](N)Cc1ccccc1F)C2.Cc1nnc2n1CCN(C(=O)C[C@H](N)Cc1ccccc1F)C2.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1ccc(C(F)(F)F)cc1F.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2ccnc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2ccnc2C1)Cc1ccccc1F
InChIInChI=1S/C17H16F7N5O.C16H16F5N5O.2C16H19F2N5O.C16H18F2N4O.2C16H20FN5O.C16H19FN4O/c18-12-6-10(16(19,20)21)2-1-9(12)5-11(25)7-14(30)28-3-4-29-13(8-28)26-27-15(29)17(22,23)24;17-11-2-1-9(6-12(11)18)5-10(22)7-14(27)25-3-4-26-13(8-25)23-24-15(26)16(19,20)21;1-10-20-21-15-9-22(4-5-23(10)15)16(24)8-13(19)7-11-6-12(17)2-3-14(11)18;1-10-20-21-15-9-22(4-5-23(10)15)16(24)8-12(19)6-11-2-3-13(17)14(18)7-11;17-13-2-1-11(8-14(13)18)7-12(19)9-16(23)22-6-5-21-4-3-20-15(21)10-22;2*1-11-19-20-15-10-21(6-7-22(11)15)16(23)9-13(18)8-12-4-2-3-5-14(12)17;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/h1-2,6,11H,3-5,7-8,25H2;1-2,6,10H,3-5,7-8,22H2;2-3,6,13H,4-5,7-9,19H2,1H3;2-3,7,12H,4-6,8-9,19H2,1H3;1-4,8,12H,5-7,9-10,19H2;2*2-5,13H,6-10,18H2,1H3;1-6,13H,7-11,18H2/t11-;10-;13-;2*12-;3*13-/m11111111/s1
InChIKeyZHSSOVWQAUUCFK-IUMZXLCGSA-N
XLogP11.81
TPSA590.54 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds32
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002756.81
LogP ≤ 511.81
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-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-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(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;(3R)-3-amino-1-(2-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-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
CID 158479530
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-(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
(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-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride
CID 131724362
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-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one acetate
CID 86647026
(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;phosphoric acid
CID 11306690
(3R)-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 sulfate
CID 71724478
(3R)-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;bis(4-methylphenyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 86647024
3-amino-4-(4-bromo-2,5-difluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
CID 20628271

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(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;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one);(3R)-3-amino-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one?
The IUPAC name of (3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(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;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one);(3R)-3-amino-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one (CID 162123585) is (3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(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;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one);(3R)-3-amino-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one.
What is the SMILES notation for (3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(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;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one);(3R)-3-amino-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one?
The canonical SMILES for (3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(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;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one);(3R)-3-amino-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one is Cc1nnc2n1CCN(C(=O)C[C@H](N)Cc1cc(F)ccc1F)C2.Cc1nnc2n1CCN(C(=O)C[C@H](N)Cc1ccc(F)c(F)c1)C2.Cc1nnc2n1CCN(C(=O)C[C@H](N)Cc1ccccc1F)C2.Cc1nnc2n1CCN(C(=O)C[C@H](N)Cc1ccccc1F)C2.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1ccc(C(F)(F)F)cc1F.N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2ccnc2C1)Cc1ccc(F)c(F)c1.N[C@@H](CC(=O)N1CCn2ccnc2C1)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(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;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one);(3R)-3-amino-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one?
The InChIKey is ZHSSOVWQAUUCFK-IUMZXLCGSA-N. The full InChI is InChI=1S/C17H16F7N5O.C16H16F5N5O.2C16H19F2N5O.C16H18F2N4O.2C16H20FN5O.C16H19FN4O/c18-12-6-10(16(19,20)21)2-1-9(12)5-11(25)7-14(30)28-3-4-29-13(8-28)26-27-15(29)17(22,23)24;17-11-2-1-9(6-12(11)18)5-10(22)7-14(27)25-3-4-26-13(8-25)23-24-15(26)16(19,20)21;1-10-20-21-15-9-22(4-5-23(10)15)16(24)8-13(19)7-11-6-12(17)2-3-14(11)18;1-10-20-21-15-9-22(4-5-23(10)15)16(24)8-12(19)6-11-2-3-13(17)14(18)7-11;17-13-2-1-11(8-14(13)18)7-12(19)9-16(23)22-6-5-21-4-3-20-15(21)10-22;2*1-11-19-20-15-10-21(6-7-22(11)15)16(23)9-13(18)8-12-4-2-3-5-14(12)17;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/h1-2,6,11H,3-5,7-8,25H2;1-2,6,10H,3-5,7-8,22H2;2-3,6,13H,4-5,7-9,19H2,1H3;2-3,7,12H,4-6,8-9,19H2,1H3;1-4,8,12H,5-7,9-10,19H2;2*2-5,13H,6-10,18H2,1H3;1-6,13H,7-11,18H2/t11-;10-;13-;2*12-;3*13-/m11111111/s1.
What are the key properties of (3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(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;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one);(3R)-3-amino-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one?
(3R)-3-amino-4-(3,4-difluorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(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;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one);(3R)-3-amino-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one has a molecular weight of 2756.81 g/mol, XLogP of 11.81, 32 rotatable bonds, 8 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-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one;(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;(3R)-3-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(2-fluorophenyl)butan-1-one;bis((3R)-3-amino-4-(2-fluorophenyl)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-1-one);(3R)-3-amino-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one is sourced from PubChem (CID 162123585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).