(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(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;(3R)-3-amino-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

C127H137F31N34O7 — CID 157392271

About (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(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;(3R)-3-amino-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(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;(3R)-3-amino-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-4-(2,4,5-trifluorophenyl)butan-1-one (PubChem CID 157392271) has the molecular formula C127H137F31N34O7 and a molecular weight of 2840.66 g/mol. Its IUPAC name is (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(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;(3R)-3-amino-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-4-(2,4,5-trifluorophenyl)butan-1-one.

Molecular Properties

• Compound Name: (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(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;(3R)-3-amino-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
• PubChem CID: 157392271
• Molecular Formula: C127H137F31N34O7
• Molecular Weight: 2840.66 g/mol
• Exact Mass: 2839.09
• IUPAC Name: (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(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;(3R)-3-amino-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
• SMILES: CC1c2nnc(C(F)(F)F)n2CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.CC1c2nnc(C(F)(F)F)n2CCCN1C(=O)C[C@H](N)Cc1cc(F)ccc1F.Cc1nnc2n1CCCN(C(=O)C[C@H](N)Cc1cc(F)ccc1F)C2.N[C@@H](CC(=O)N1CCCn2c(nnc2-c2ccc(F)cc2)C1)Cc1cc(F)ccc1F.N[C@@H](CC(=O)N1CCCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)ccc1F.N[C@@H](CC(=O)N1CCCn2cc(C(F)(F)F)nc2C1)Cc1cc(F)ccc1F.N[C@@H](CC(=O)N1CCc2nnc(C(F)(F)F)n2CC1)Cc1cc(F)ccc1F
• InChI: InChI=1S/C22H22F3N5O.C18H19F6N5O.C18H20F5N5O.C18H19F5N4O.2C17H18F5N5O.C17H21F2N5O/c23-16-4-2-14(3-5-16)22-28-27-20-13-29(8-1-9-30(20)22)21(31)12-18(26)11-15-10-17(24)6-7-19(15)25;1-9-16-26-27-17(18(22,23)24)29(16)4-2-3-28(9)15(30)7-11(25)5-10-6-13(20)14(21)8-12(10)19;1-10-16-25-26-17(18(21,22)23)28(16)6-2-5-27(10)15(29)9-13(24)8-11-7-12(19)3-4-14(11)20;19-12-2-3-14(20)11(6-12)7-13(24)8-17(28)27-5-1-4-26-9-15(18(21,22)23)25-16(26)10-27;18-11-2-3-13(19)10(6-11)7-12(23)8-15(28)26-4-1-5-27-14(9-26)24-25-16(27)17(20,21)22;18-11-1-2-13(19)10(7-11)8-12(23)9-15(28)26-4-3-14-24-25-16(17(20,21)22)27(14)6-5-26;1-11-21-22-16-10-23(5-2-6-24(11)16)17(25)9-14(20)8-12-7-13(18)3-4-15(12)19/h2-7,10,18H,1,8-9,11-13,26H2;6,8-9,11H,2-5,7,25H2,1H3;3-4,7,10,13H,2,5-6,8-9,24H2,1H3;2-3,6,9,13H,1,4-5,7-8,10,24H2;2-3,6,12H,1,4-5,7-9,23H2;1-2,7,12H,3-6,8-9,23H2;3-4,7,14H,2,5-6,8-10,20H2,1H3/t18-;9?,11-;10?,13-;13-;2*12-;14-/m1111111/s1
• InChIKey: BMDKNWHBJYTJLD-DDBMLYMASA-N
• XLogP: 17.47
• TPSA: 526.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2840.66
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(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;(3R)-3-amino-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-4-(2,4,5-trifluorophenyl)butan-1-one?

The IUPAC name of (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(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;(3R)-3-amino-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-4-(2,4,5-trifluorophenyl)butan-1-one (CID 157392271) is (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(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;(3R)-3-amino-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-4-(2,4,5-trifluorophenyl)butan-1-one.

What is the SMILES notation for (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(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;(3R)-3-amino-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-4-(2,4,5-trifluorophenyl)butan-1-one?

The canonical SMILES for (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(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;(3R)-3-amino-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-4-(2,4,5-trifluorophenyl)butan-1-one is CC1c2nnc(C(F)(F)F)n2CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.CC1c2nnc(C(F)(F)F)n2CCCN1C(=O)C[C@H](N)Cc1cc(F)ccc1F.Cc1nnc2n1CCCN(C(=O)C[C@H](N)Cc1cc(F)ccc1F)C2.N[C@@H](CC(=O)N1CCCn2c(nnc2-c2ccc(F)cc2)C1)Cc1cc(F)ccc1F.N[C@@H](CC(=O)N1CCCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)ccc1F.N[C@@H](CC(=O)N1CCCn2cc(C(F)(F)F)nc2C1)Cc1cc(F)ccc1F.N[C@@H](CC(=O)N1CCc2nnc(C(F)(F)F)n2CC1)Cc1cc(F)ccc1F.

What is the InChIKey of (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(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;(3R)-3-amino-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-4-(2,4,5-trifluorophenyl)butan-1-one?

The InChIKey is BMDKNWHBJYTJLD-DDBMLYMASA-N. The full InChI is InChI=1S/C22H22F3N5O.C18H19F6N5O.C18H20F5N5O.C18H19F5N4O.2C17H18F5N5O.C17H21F2N5O/c23-16-4-2-14(3-5-16)22-28-27-20-13-29(8-1-9-30(20)22)21(31)12-18(26)11-15-10-17(24)6-7-19(15)25;1-9-16-26-27-17(18(22,23)24)29(16)4-2-3-28(9)15(30)7-11(25)5-10-6-13(20)14(21)8-12(10)19;1-10-16-25-26-17(18(21,22)23)28(16)6-2-5-27(10)15(29)9-13(24)8-11-7-12(19)3-4-14(11)20;19-12-2-3-14(20)11(6-12)7-13(24)8-17(28)27-5-1-4-26-9-15(18(21,22)23)25-16(26)10-27;18-11-2-3-13(19)10(6-11)7-12(23)8-15(28)26-4-1-5-27-14(9-26)24-25-16(27)17(20,21)22;18-11-1-2-13(19)10(7-11)8-12(23)9-15(28)26-4-3-14-24-25-16(17(20,21)22)27(14)6-5-26;1-11-21-22-16-10-23(5-2-6-24(11)16)17(25)9-14(20)8-12-7-13(18)3-4-15(12)19/h2-7,10,18H,1,8-9,11-13,26H2;6,8-9,11H,2-5,7,25H2,1H3;3-4,7,10,13H,2,5-6,8-9,24H2,1H3;2-3,6,9,13H,1,4-5,7-8,10,24H2;2-3,6,12H,1,4-5,7-9,23H2;1-2,7,12H,3-6,8-9,23H2;3-4,7,14H,2,5-6,8-10,20H2,1H3/t18-;9?,11-;10?,13-;13-;2*12-;14-/m1111111/s1.

What are the key properties of (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(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;(3R)-3-amino-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-4-(2,4,5-trifluorophenyl)butan-1-one?

(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(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;(3R)-3-amino-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-4-(2,4,5-trifluorophenyl)butan-1-one has a molecular weight of 2840.66 g/mol, XLogP of 17.47, 29 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-methyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl)butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]butan-1-one;(3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]butan-1-one;(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;(3R)-3-amino-1-[9-methyl-3-(trifluoromethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-4-(2,4,5-trifluorophenyl)butan-1-one is sourced from PubChem (CID 157392271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).