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

C105H106F22N22O5 — CID 160752048

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

(3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[8-(4-fluorophenyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-[8-methyl-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-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one (PubChem CID 160752048) has the molecular formula C105H106F22N22O5 and a molecular weight of 2174.11 g/mol. Its IUPAC name is (3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[8-(4-fluorophenyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-[8-methyl-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-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one.

Molecular Properties

• Compound Name: (3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[8-(4-fluorophenyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-[8-methyl-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-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
• PubChem CID: 160752048
• Molecular Formula: C105H106F22N22O5
• Molecular Weight: 2174.11 g/mol
• Exact Mass: 2172.84
• IUPAC Name: (3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[8-(4-fluorophenyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-[8-methyl-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-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
• SMILES: CC1c2nc(C(F)(F)F)cn2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.CC1c2nnc(C(F)(F)F)n2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.Cc1cnc2n1CC(Cc1ccccc1)N(C(=O)C[C@H](N)Cc1ccc(F)c(F)c1)C2.Cc1nnc2n1CC(Cc1ccccc1)N(C(=O)C[C@H](N)Cc1ccc(F)c(F)c1)C2.N[C@@H](CC(=O)N1CCn2cc(C(F)(F)F)nc2C1c1ccc(F)cc1)Cc1ccc(F)c(F)c1
• InChI: InChI=1S/C24H26F2N4O.C23H20F6N4O.C23H25F2N5O.C18H18F6N4O.C17H17F6N5O/c1-16-13-28-23-15-30(20(14-29(16)23)10-17-5-3-2-4-6-17)24(31)12-19(27)9-18-7-8-21(25)22(26)11-18;24-15-4-2-14(3-5-15)21-22-31-19(23(27,28)29)12-32(22)7-8-33(21)20(34)11-16(30)9-13-1-6-17(25)18(26)10-13;1-15-27-28-22-14-30(19(13-29(15)22)10-16-5-3-2-4-6-16)23(31)12-18(26)9-17-7-8-20(24)21(25)11-17;1-9-17-26-15(18(22,23)24)8-27(17)2-3-28(9)16(29)6-11(25)4-10-5-13(20)14(21)7-12(10)19;1-8-15-25-26-16(17(21,22)23)28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h2-8,11,13,19-20H,9-10,12,14-15,27H2,1H3;1-6,10,12,16,21H,7-9,11,30H2;2-8,11,18-19H,9-10,12-14,26H2,1H3;5,7-9,11H,2-4,6,25H2,1H3;5,7-8,10H,2-4,6,24H2,1H3/t19-,20?;16-,21?;18-,19?;9?,11-;8?,10-/m11111/s1
• InChIKey: RWYMYWDKUNGGEE-ACLBIDKOSA-N
• XLogP: 16.13
• TPSA: 346.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2174.11
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

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

The IUPAC name of (3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[8-(4-fluorophenyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-[8-methyl-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-[8-methyl-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 160752048) is (3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[8-(4-fluorophenyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-[8-methyl-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-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one.

What is the SMILES notation for (3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[8-(4-fluorophenyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-[8-methyl-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-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one?

The canonical SMILES for (3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[8-(4-fluorophenyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-[8-methyl-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-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one is CC1c2nc(C(F)(F)F)cn2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.CC1c2nnc(C(F)(F)F)n2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F.Cc1cnc2n1CC(Cc1ccccc1)N(C(=O)C[C@H](N)Cc1ccc(F)c(F)c1)C2.Cc1nnc2n1CC(Cc1ccccc1)N(C(=O)C[C@H](N)Cc1ccc(F)c(F)c1)C2.N[C@@H](CC(=O)N1CCn2cc(C(F)(F)F)nc2C1c1ccc(F)cc1)Cc1ccc(F)c(F)c1.

What is the InChIKey of (3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[8-(4-fluorophenyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-[8-methyl-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-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one?

The InChIKey is RWYMYWDKUNGGEE-ACLBIDKOSA-N. The full InChI is InChI=1S/C24H26F2N4O.C23H20F6N4O.C23H25F2N5O.C18H18F6N4O.C17H17F6N5O/c1-16-13-28-23-15-30(20(14-29(16)23)10-17-5-3-2-4-6-17)24(31)12-19(27)9-18-7-8-21(25)22(26)11-18;24-15-4-2-14(3-5-15)21-22-31-19(23(27,28)29)12-32(22)7-8-33(21)20(34)11-16(30)9-13-1-6-17(25)18(26)10-13;1-15-27-28-22-14-30(19(13-29(15)22)10-16-5-3-2-4-6-16)23(31)12-18(26)9-17-7-8-20(24)21(25)11-17;1-9-17-26-15(18(22,23)24)8-27(17)2-3-28(9)16(29)6-11(25)4-10-5-13(20)14(21)7-12(10)19;1-8-15-25-26-16(17(21,22)23)28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h2-8,11,13,19-20H,9-10,12,14-15,27H2,1H3;1-6,10,12,16,21H,7-9,11,30H2;2-8,11,18-19H,9-10,12-14,26H2,1H3;5,7-9,11H,2-4,6,25H2,1H3;5,7-8,10H,2-4,6,24H2,1H3/t19-,20?;16-,21?;18-,19?;9?,11-;8?,10-/m11111/s1.

What are the key properties of (3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[8-(4-fluorophenyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-[8-methyl-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-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one?

(3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[8-(4-fluorophenyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-[8-methyl-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-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one has a molecular weight of 2174.11 g/mol, XLogP of 16.13, 25 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-1-(6-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-(3,4-difluorophenyl)butan-1-one;(3R)-3-amino-4-(3,4-difluorophenyl)-1-[8-(4-fluorophenyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]butan-1-one;(3R)-3-amino-1-[8-methyl-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-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one is sourced from PubChem (CID 160752048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).