bis((3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one);tert-butyl N-[(2R)-4-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;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

C94H103Cl2F24N19O16 — CID 157448188

About bis((3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one);tert-butyl N-[(2R)-4-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;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((3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one);tert-butyl N-[(2R)-4-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;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 157448188) has the molecular formula C94H103Cl2F24N19O16 and a molecular weight of 2281.83 g/mol. Its IUPAC name is bis((3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one);tert-butyl N-[(2R)-4-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;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((3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one);tert-butyl N-[(2R)-4-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;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: 157448188
• Molecular Formula: C94H103Cl2F24N19O16
• Molecular Weight: 2281.83 g/mol
• Exact Mass: 2279.68
• IUPAC Name: bis((3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one);tert-butyl N-[(2R)-4-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;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)N3CC[C@@H](O)C3)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.Cl.Cl.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CC[C@@H](O)C3)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CC[C@@H](O)C3)c2C1)Cc1cc(F)c(F)cc1F
• InChI: InChI=1S/C27H31F6N5O5.C23H24F6N4O5.2C22H23F6N5O3.2ClH/c1-26(2,3)43-25(42)34-15(8-14-9-18(29)19(30)11-17(14)28)10-21(40)36-6-7-38-20(13-36)22(35-24(38)27(31,32)33)23(41)37-5-4-16(39)12-37;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*23-14-8-16(25)15(24)6-11(14)5-12(29)7-18(35)31-3-4-33-17(10-31)19(30-21(33)22(26,27)28)20(36)32-2-1-13(34)9-32;;/h9,11,15-16,39H,4-8,10,12-13H2,1-3H3,(H,34,42);7,9,12H,4-6,8,10H2,1-3H3,(H,30,37)(H,35,36);2*6,8,12-13,34H,1-5,7,9-10,29H2;2*1H/t15-,16-;12-;2*12-,13-;;/m1111../s1
• InChIKey: JEPHVXACDVZQPW-ZQZWHLTESA-N
• XLogP: 11.78
• TPSA: 440.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2281.83
LogP ≤ 5	11.78
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis((3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one);tert-butyl N-[(2R)-4-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;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((3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one);tert-butyl N-[(2R)-4-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;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 157448188) is bis((3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one);tert-butyl N-[(2R)-4-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;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((3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one);tert-butyl N-[(2R)-4-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;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((3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one);tert-butyl N-[(2R)-4-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;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)N3CC[C@@H](O)C3)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.Cl.Cl.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CC[C@@H](O)C3)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CC[C@@H](O)C3)c2C1)Cc1cc(F)c(F)cc1F.

What is the InChIKey of bis((3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one);tert-butyl N-[(2R)-4-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;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 JEPHVXACDVZQPW-ZQZWHLTESA-N. The full InChI is InChI=1S/C27H31F6N5O5.C23H24F6N4O5.2C22H23F6N5O3.2ClH/c1-26(2,3)43-25(42)34-15(8-14-9-18(29)19(30)11-17(14)28)10-21(40)36-6-7-38-20(13-36)22(35-24(38)27(31,32)33)23(41)37-5-4-16(39)12-37;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*23-14-8-16(25)15(24)6-11(14)5-12(29)7-18(35)31-3-4-33-17(10-31)19(30-21(33)22(26,27)28)20(36)32-2-1-13(34)9-32;;/h9,11,15-16,39H,4-8,10,12-13H2,1-3H3,(H,34,42);7,9,12H,4-6,8,10H2,1-3H3,(H,30,37)(H,35,36);2*6,8,12-13,34H,1-5,7,9-10,29H2;2*1H/t15-,16-;12-;2*12-,13-;;/m1111../s1.

What are the key properties of bis((3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one);tert-butyl N-[(2R)-4-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;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((3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one);tert-butyl N-[(2R)-4-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;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 2281.83 g/mol, XLogP of 11.78, 22 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis((3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one);tert-butyl N-[(2R)-4-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;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 157448188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).