bis(7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide);tert-butyl N-[(2R)-4-[1-(2-methylsulfonylethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;methyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride

C115H129Cl2F30N23O24S3 — CID 159335502

About bis(7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide);tert-butyl N-[(2R)-4-[1-(2-methylsulfonylethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;methyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride

bis(7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide);tert-butyl N-[(2R)-4-[1-(2-methylsulfonylethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;methyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride (PubChem CID 159335502) has the molecular formula C115H129Cl2F30N23O24S3 and a molecular weight of 2954.48 g/mol. Its IUPAC name is bis(7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide);tert-butyl N-[(2R)-4-[1-(2-methylsulfonylethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;methyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride.

Molecular Properties

• Compound Name: bis(7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide);tert-butyl N-[(2R)-4-[1-(2-methylsulfonylethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;methyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride
• PubChem CID: 159335502
• Molecular Formula: C115H129Cl2F30N23O24S3
• Molecular Weight: 2954.48 g/mol
• Exact Mass: 2951.76
• IUPAC Name: bis(7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide);tert-butyl N-[(2R)-4-[1-(2-methylsulfonylethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;methyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride
• SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)NCCS(C)(=O)=O)c2C1)Cc1cc(F)c(F)cc1F.CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)O)c2C1)Cc1cc(F)c(F)cc1F.COC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)CC2.CS(=O)(=O)CCNC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.CS(=O)(=O)CCNC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.Cl.Cl
• InChI: InChI=1S/C26H31F6N5O6S.C24H26F6N4O5.C23H24F6N4O5.2C21H23F6N5O4S.2ClH/c1-25(2,3)43-24(40)34-15(9-14-10-17(28)18(29)12-16(14)27)11-20(38)36-6-7-37-19(13-36)21(35-23(37)26(30,31)32)22(39)33-5-8-44(4,41)42;1-23(2,3)39-22(37)31-13(7-12-8-15(26)16(27)10-14(12)25)9-18(35)33-5-6-34-17(11-33)19(20(36)38-4)32-21(34)24(28,29)30;1-22(2,3)38-21(37)30-12(6-11-7-14(25)15(26)9-13(11)24)8-17(34)32-4-5-33-16(10-32)18(19(35)36)31-20(33)23(27,28)29;2*1-37(35,36)5-2-29-19(34)18-16-10-31(3-4-32(16)20(30-18)21(25,26)27)17(33)8-12(28)6-11-7-14(23)15(24)9-13(11)22;;/h10,12,15H,5-9,11,13H2,1-4H3,(H,33,39)(H,34,40);8,10,13H,5-7,9,11H2,1-4H3,(H,31,37);7,9,12H,4-6,8,10H2,1-3H3,(H,30,37)(H,35,36);2*7,9,12H,2-6,8,10,28H2,1H3,(H,29,34);2*1H/t15-;13-;3*12-;;/m11111../s1
• InChIKey: UHNKKFWSHNPBJV-NACYNDMZSA-N
• XLogP: 14.46
• TPSA: 611.00 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 37
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2954.48
LogP ≤ 5	14.46
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide);tert-butyl N-[(2R)-4-[1-(2-methylsulfonylethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;methyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride?

The IUPAC name of bis(7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide);tert-butyl N-[(2R)-4-[1-(2-methylsulfonylethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;methyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride (CID 159335502) is bis(7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide);tert-butyl N-[(2R)-4-[1-(2-methylsulfonylethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;methyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride.

What is the SMILES notation for bis(7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide);tert-butyl N-[(2R)-4-[1-(2-methylsulfonylethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;methyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride?

The canonical SMILES for bis(7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide);tert-butyl N-[(2R)-4-[1-(2-methylsulfonylethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;methyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride is CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)NCCS(C)(=O)=O)c2C1)Cc1cc(F)c(F)cc1F.CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)O)c2C1)Cc1cc(F)c(F)cc1F.COC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)CC2.CS(=O)(=O)CCNC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.CS(=O)(=O)CCNC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.Cl.Cl.

What is the InChIKey of bis(7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide);tert-butyl N-[(2R)-4-[1-(2-methylsulfonylethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;methyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride?

The InChIKey is UHNKKFWSHNPBJV-NACYNDMZSA-N. The full InChI is InChI=1S/C26H31F6N5O6S.C24H26F6N4O5.C23H24F6N4O5.2C21H23F6N5O4S.2ClH/c1-25(2,3)43-24(40)34-15(9-14-10-17(28)18(29)12-16(14)27)11-20(38)36-6-7-37-19(13-36)21(35-23(37)26(30,31)32)22(39)33-5-8-44(4,41)42;1-23(2,3)39-22(37)31-13(7-12-8-15(26)16(27)10-14(12)25)9-18(35)33-5-6-34-17(11-33)19(20(36)38-4)32-21(34)24(28,29)30;1-22(2,3)38-21(37)30-12(6-11-7-14(25)15(26)9-13(11)24)8-17(34)32-4-5-33-16(10-32)18(19(35)36)31-20(33)23(27,28)29;2*1-37(35,36)5-2-29-19(34)18-16-10-31(3-4-32(16)20(30-18)21(25,26)27)17(33)8-12(28)6-11-7-14(23)15(24)9-13(11)22;;/h10,12,15H,5-9,11,13H2,1-4H3,(H,33,39)(H,34,40);8,10,13H,5-7,9,11H2,1-4H3,(H,31,37);7,9,12H,4-6,8,10H2,1-3H3,(H,30,37)(H,35,36);2*7,9,12H,2-6,8,10,28H2,1H3,(H,29,34);2*1H/t15-;13-;3*12-;;/m11111../s1.

What are the key properties of bis(7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide);tert-butyl N-[(2R)-4-[1-(2-methylsulfonylethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;methyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride?

bis(7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide);tert-butyl N-[(2R)-4-[1-(2-methylsulfonylethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;methyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride has a molecular weight of 2954.48 g/mol, XLogP of 14.46, 37 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for bis(7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide);tert-butyl N-[(2R)-4-[1-(2-methylsulfonylethylcarbamoyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;methyl 7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate;7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid;dihydrochloride is sourced from PubChem (CID 159335502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).