(3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid

C148H149F46N43O11 — CID 158665336

IUPAC(3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid
SMILESCC1c2nc(C(F)(F)F)nn2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1C(F)C1CC1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1C(O)C1CC1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1CC(=O)O)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1CC1CC1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1Cn1cncn1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C3CC3)nc2C1)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C20H20F7N5O.C20H21F6N5O2.C20H21F6N5O.C19H18F6N8O.C18H17F6N5O3.C18H20F3N5O.C17H17F6N5O.C16H15F6N5O/c21-12-8-14(23)13(22)6-10(12)5-11(28)7-15(33)31-3-4-32-18(17(31)16(24)9-1-2-9)29-19(30-32)20(25,26)27;21-12-8-14(23)13(22)6-10(12)5-11(27)7-15(32)30-3-4-31-18(16(30)17(33)9-1-2-9)28-19(29-31)20(24,25)26;21-13-9-15(23)14(22)7-11(13)6-12(27)8-17(32)30-3-4-31-18(16(30)5-10-1-2-10)28-19(29-31)20(24,25)26;20-12-6-14(22)13(21)4-10(12)3-11(26)5-16(34)32-1-2-33-17(29-18(30-33)19(23,24)25)15(32)7-31-9-27-8-28-31;19-10-6-12(21)11(20)4-8(10)3-9(25)5-14(30)28-1-2-29-16(13(28)7-15(31)32)26-17(27-29)18(22,23)24;19-13-8-15(21)14(20)6-11(13)5-12(22)7-17(27)25-3-4-26-16(9-25)23-18(24-26)10-1-2-10;1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18;17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-15(25-27)16(20,21)22/h6,8-9,11,16-17H,1-5,7,28H2;6,8-9,11,16-17,33H,1-5,7,27H2;7,9-10,12,16H,1-6,8,27H2;4,6,8-9,11,15H,1-3,5,7,26H2;4,6,9,13H,1-3,5,7,25H2,(H,31,32);6,8,10,12H,1-5,7,9,22H2;5,7-8,10H,2-4,6,24H2,1H3;4,6,9H,1-3,5,7,23H2/t2*11-,16?,17?;12-,16?;11-,15?;9-,13?;12-;8?,10-;9-/m11111111/s1
InChIKeyIDGWXKALAPYGHD-KLXWXXBPSA-N
MW3580.02 g/mol
LogP19.34
Rot. Bonds43

About (3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid

(3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid (PubChem CID 158665336) has the molecular formula C148H149F46N43O11 and a molecular weight of 3580.02 g/mol. Its IUPAC name is (3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid.

Molecular Properties

Compound Name(3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid
PubChem CID158665336
Molecular FormulaC148H149F46N43O11
Molecular Weight3580.02 g/mol
Exact Mass3578.17
IUPAC Name(3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid
SMILESCC1c2nc(C(F)(F)F)nn2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1C(F)C1CC1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1C(O)C1CC1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1CC(=O)O)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1CC1CC1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1Cn1cncn1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C3CC3)nc2C1)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C20H20F7N5O.C20H21F6N5O2.C20H21F6N5O.C19H18F6N8O.C18H17F6N5O3.C18H20F3N5O.C17H17F6N5O.C16H15F6N5O/c21-12-8-14(23)13(22)6-10(12)5-11(28)7-15(33)31-3-4-32-18(17(31)16(24)9-1-2-9)29-19(30-32)20(25,26)27;21-12-8-14(23)13(22)6-10(12)5-11(27)7-15(32)30-3-4-31-18(16(30)17(33)9-1-2-9)28-19(29-31)20(24,25)26;21-13-9-15(23)14(22)7-11(13)6-12(27)8-17(32)30-3-4-31-18(16(30)5-10-1-2-10)28-19(29-31)20(24,25)26;20-12-6-14(22)13(21)4-10(12)3-11(26)5-16(34)32-1-2-33-17(29-18(30-33)19(23,24)25)15(32)7-31-9-27-8-28-31;19-10-6-12(21)11(20)4-8(10)3-9(25)5-14(30)28-1-2-29-16(13(28)7-15(31)32)26-17(27-29)18(22,23)24;19-13-8-15(21)14(20)6-11(13)5-12(22)7-17(27)25-3-4-26-16(9-25)23-18(24-26)10-1-2-10;1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18;17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-15(25-27)16(20,21)22/h6,8-9,11,16-17H,1-5,7,28H2;6,8-9,11,16-17,33H,1-5,7,27H2;7,9-10,12,16H,1-6,8,27H2;4,6,8-9,11,15H,1-3,5,7,26H2;4,6,9,13H,1-3,5,7,25H2,(H,31,32);6,8,10,12H,1-5,7,9,22H2;5,7-8,10H,2-4,6,24H2,1H3;4,6,9H,1-3,5,7,23H2/t2*11-,16?,17?;12-,16?;11-,15?;9-,13?;12-;8?,10-;9-/m11111111/s1
InChIKeyIDGWXKALAPYGHD-KLXWXXBPSA-N
XLogP19.34
TPSA704.56 Ų
H-Bond Donors10
H-Bond Acceptors45
Rotatable Bonds43
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003580.02
LogP ≤ 519.34
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid with MolForge

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What is the IUPAC name of (3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid?
The IUPAC name of (3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid (CID 158665336) is (3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid.
What is the SMILES notation for (3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid?
The canonical SMILES for (3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid is CC1c2nc(C(F)(F)F)nn2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1C(F)C1CC1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1C(O)C1CC1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1CC(=O)O)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1CC1CC1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C(F)(F)F)nc2C1Cn1cncn1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2nc(C3CC3)nc2C1)Cc1cc(F)c(F)cc1F.
What is the InChIKey of (3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid?
The InChIKey is IDGWXKALAPYGHD-KLXWXXBPSA-N. The full InChI is InChI=1S/C20H20F7N5O.C20H21F6N5O2.C20H21F6N5O.C19H18F6N8O.C18H17F6N5O3.C18H20F3N5O.C17H17F6N5O.C16H15F6N5O/c21-12-8-14(23)13(22)6-10(12)5-11(28)7-15(33)31-3-4-32-18(17(31)16(24)9-1-2-9)29-19(30-32)20(25,26)27;21-12-8-14(23)13(22)6-10(12)5-11(27)7-15(32)30-3-4-31-18(16(30)17(33)9-1-2-9)28-19(29-31)20(24,25)26;21-13-9-15(23)14(22)7-11(13)6-12(27)8-17(32)30-3-4-31-18(16(30)5-10-1-2-10)28-19(29-31)20(24,25)26;20-12-6-14(22)13(21)4-10(12)3-11(26)5-16(34)32-1-2-33-17(29-18(30-33)19(23,24)25)15(32)7-31-9-27-8-28-31;19-10-6-12(21)11(20)4-8(10)3-9(25)5-14(30)28-1-2-29-16(13(28)7-15(31)32)26-17(27-29)18(22,23)24;19-13-8-15(21)14(20)6-11(13)5-12(22)7-17(27)25-3-4-26-16(9-25)23-18(24-26)10-1-2-10;1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18;17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-15(25-27)16(20,21)22/h6,8-9,11,16-17H,1-5,7,28H2;6,8-9,11,16-17,33H,1-5,7,27H2;7,9-10,12,16H,1-6,8,27H2;4,6,8-9,11,15H,1-3,5,7,26H2;4,6,9,13H,1-3,5,7,25H2,(H,31,32);6,8,10,12H,1-5,7,9,22H2;5,7-8,10H,2-4,6,24H2,1H3;4,6,9H,1-3,5,7,23H2/t2*11-,16?,17?;12-,16?;11-,15?;9-,13?;12-;8?,10-;9-/m11111111/s1.
What are the key properties of (3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid?
(3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid has a molecular weight of 3580.02 g/mol, XLogP of 19.34, 43 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-(2-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(fluoro)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-[cyclopropyl(hydroxy)methyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(cyclopropylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[8-(1,2,4-triazol-1-ylmethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-8-yl]acetic acid is sourced from PubChem (CID 158665336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).