bis((3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-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-[(2S)-2-(hydroxymethyl)cyclopentanecarbonyl]-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

C98H110Cl2F24N18O16 — CID 157135996

About bis((3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-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-[(2S)-2-(hydroxymethyl)cyclopentanecarbonyl]-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-[(2R)-2-(hydroxymethyl)pyrrolidine-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-[(2S)-2-(hydroxymethyl)cyclopentanecarbonyl]-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 157135996) has the molecular formula C98H110Cl2F24N18O16 and a molecular weight of 2322.93 g/mol. Its IUPAC name is bis((3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-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-[(2S)-2-(hydroxymethyl)cyclopentanecarbonyl]-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-[(2R)-2-(hydroxymethyl)pyrrolidine-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-[(2S)-2-(hydroxymethyl)cyclopentanecarbonyl]-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: 157135996
• Molecular Formula: C98H110Cl2F24N18O16
• Molecular Weight: 2322.93 g/mol
• Exact Mass: 2320.73
• IUPAC Name: bis((3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-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-[(2S)-2-(hydroxymethyl)cyclopentanecarbonyl]-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)C3CCC[C@@H]3CO)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)N3CCC[C@@H]3CO)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCC[C@@H]3CO)c2C1)Cc1cc(F)c(F)cc1F
• InChI: InChI=1S/C29H34F6N4O5.2C23H25F6N5O3.C23H24F6N4O5.2ClH/c1-28(2,3)44-27(43)36-17(9-16-10-20(31)21(32)12-19(16)30)11-23(41)38-7-8-39-22(13-38)24(37-26(39)29(33,34)35)25(42)18-6-4-5-15(18)14-40;2*24-15-9-17(26)16(25)7-12(15)6-13(30)8-19(36)32-4-5-34-18(10-32)20(31-22(34)23(27,28)29)21(37)33-3-1-2-14(33)11-35;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;;/h10,12,15,17-18,40H,4-9,11,13-14H2,1-3H3,(H,36,43);2*7,9,13-14,35H,1-6,8,10-11,30H2;7,9,12H,4-6,8,10H2,1-3H3,(H,30,37)(H,35,36);2*1H/t15-,17-,18?;2*13-,14-;12-;;/m1111../s1
• InChIKey: VOAGWXIKCMNJKU-GBXANPPFSA-N
• XLogP: 13.94
• TPSA: 436.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2322.93
LogP ≤ 5	13.94
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-[(2R)-2-(hydroxymethyl)pyrrolidine-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-[(2S)-2-(hydroxymethyl)cyclopentanecarbonyl]-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-[(2R)-2-(hydroxymethyl)pyrrolidine-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-[(2S)-2-(hydroxymethyl)cyclopentanecarbonyl]-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 157135996) is bis((3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-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-[(2S)-2-(hydroxymethyl)cyclopentanecarbonyl]-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-[(2R)-2-(hydroxymethyl)pyrrolidine-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-[(2S)-2-(hydroxymethyl)cyclopentanecarbonyl]-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-[(2R)-2-(hydroxymethyl)pyrrolidine-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-[(2S)-2-(hydroxymethyl)cyclopentanecarbonyl]-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)C3CCC[C@@H]3CO)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)N3CCC[C@@H]3CO)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCC[C@@H]3CO)c2C1)Cc1cc(F)c(F)cc1F.

What is the InChIKey of bis((3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-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-[(2S)-2-(hydroxymethyl)cyclopentanecarbonyl]-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 VOAGWXIKCMNJKU-GBXANPPFSA-N. The full InChI is InChI=1S/C29H34F6N4O5.2C23H25F6N5O3.C23H24F6N4O5.2ClH/c1-28(2,3)44-27(43)36-17(9-16-10-20(31)21(32)12-19(16)30)11-23(41)38-7-8-39-22(13-38)24(37-26(39)29(33,34)35)25(42)18-6-4-5-15(18)14-40;2*24-15-9-17(26)16(25)7-12(15)6-13(30)8-19(36)32-4-5-34-18(10-32)20(31-22(34)23(27,28)29)21(37)33-3-1-2-14(33)11-35;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;;/h10,12,15,17-18,40H,4-9,11,13-14H2,1-3H3,(H,36,43);2*7,9,13-14,35H,1-6,8,10-11,30H2;7,9,12H,4-6,8,10H2,1-3H3,(H,30,37)(H,35,36);2*1H/t15-,17-,18?;2*13-,14-;12-;;/m1111../s1.

What are the key properties of bis((3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-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-[(2S)-2-(hydroxymethyl)cyclopentanecarbonyl]-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-[(2R)-2-(hydroxymethyl)pyrrolidine-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-[(2S)-2-(hydroxymethyl)cyclopentanecarbonyl]-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 2322.93 g/mol, XLogP of 13.94, 26 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-[(2R)-2-(hydroxymethyl)pyrrolidine-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-[(2S)-2-(hydroxymethyl)cyclopentanecarbonyl]-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 157135996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).