(3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid

C126H131F36N31O14 — CID 159350935

IUPAC(3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
SMILESCN(C)C(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.CNC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.NC(=O)C1CCN(C(=O)c2nc(C(F)(F)F)n3c2CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC3)CC1.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCCC3)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)O)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H]1CCCN(C(=O)c2nc(C(F)(F)F)n3c2CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC3)C1
InChIInChI=1S/C24H26F6N6O3.C23H26F6N6O2.C22H23F6N5O2.C20H21F6N5O2.C19H19F6N5O2.C18H16F6N4O3/c25-15-10-17(27)16(26)8-13(15)7-14(31)9-19(37)35-5-6-36-18(11-35)20(33-23(36)24(28,29)30)22(39)34-3-1-12(2-4-34)21(32)38;24-15-9-17(26)16(25)7-12(15)6-14(31)8-19(36)33-4-5-35-18(11-33)20(32-22(35)23(27,28)29)21(37)34-3-1-2-13(30)10-34;23-14-10-16(25)15(24)8-12(14)7-13(29)9-18(34)32-5-6-33-17(11-32)19(30-21(33)22(26,27)28)20(35)31-3-1-2-4-31;1-29(2)18(33)17-15-9-30(3-4-31(15)19(28-17)20(24,25)26)16(32)7-11(27)5-10-6-13(22)14(23)8-12(10)21;1-27-17(32)16-14-8-29(2-3-30(14)18(28-16)19(23,24)25)15(31)6-10(26)4-9-5-12(21)13(22)7-11(9)20;19-10-6-12(21)11(20)4-8(10)3-9(25)5-14(29)27-1-2-28-13(7-27)15(16(30)31)26-17(28)18(22,23)24/h8,10,12,14H,1-7,9,11,31H2,(H2,32,38);7,9,13-14H,1-6,8,10-11,30-31H2;8,10,13H,1-7,9,11,29H2;6,8,11H,3-5,7,9,27H2,1-2H3;5,7,10H,2-4,6,8,26H2,1H3,(H,27,32);4,6,9H,1-3,5,7,25H2,(H,30,31)/t14-;13-,14-;13-;11-;10-;9-/m111111/s1
InChIKeyLHHWBHOFFCNTGB-DGOQSOAVSA-N
MW2987.56 g/mol
LogP13.63
Rot. Bonds31

About (3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid

(3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid (PubChem CID 159350935) has the molecular formula C126H131F36N31O14 and a molecular weight of 2987.56 g/mol. Its IUPAC name is (3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
PubChem CID159350935
Molecular FormulaC126H131F36N31O14
Molecular Weight2987.56 g/mol
Exact Mass2985.99
IUPAC Name(3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
SMILESCN(C)C(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.CNC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.NC(=O)C1CCN(C(=O)c2nc(C(F)(F)F)n3c2CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC3)CC1.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCCC3)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)O)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H]1CCCN(C(=O)c2nc(C(F)(F)F)n3c2CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC3)C1
InChIInChI=1S/C24H26F6N6O3.C23H26F6N6O2.C22H23F6N5O2.C20H21F6N5O2.C19H19F6N5O2.C18H16F6N4O3/c25-15-10-17(27)16(26)8-13(15)7-14(31)9-19(37)35-5-6-36-18(11-35)20(33-23(36)24(28,29)30)22(39)34-3-1-12(2-4-34)21(32)38;24-15-9-17(26)16(25)7-12(15)6-14(31)8-19(36)33-4-5-35-18(11-33)20(32-22(35)23(27,28)29)21(37)34-3-1-2-13(30)10-34;23-14-10-16(25)15(24)8-12(14)7-13(29)9-18(34)32-5-6-33-17(11-32)19(30-21(33)22(26,27)28)20(35)31-3-1-2-4-31;1-29(2)18(33)17-15-9-30(3-4-31(15)19(28-17)20(24,25)26)16(32)7-11(27)5-10-6-13(22)14(23)8-12(10)21;1-27-17(32)16-14-8-29(2-3-30(14)18(28-16)19(23,24)25)15(31)6-10(26)4-9-5-12(21)13(22)7-11(9)20;19-10-6-12(21)11(20)4-8(10)3-9(25)5-14(29)27-1-2-28-13(7-27)15(16(30)31)26-17(28)18(22,23)24/h8,10,12,14H,1-7,9,11,31H2,(H2,32,38);7,9,13-14H,1-6,8,10-11,30-31H2;8,10,13H,1-7,9,11,29H2;6,8,11H,3-5,7,9,27H2,1-2H3;5,7,10H,2-4,6,8,26H2,1H3,(H,27,32);4,6,9H,1-3,5,7,25H2,(H,30,31)/t14-;13-,14-;13-;11-;10-;9-/m111111/s1
InChIKeyLHHWBHOFFCNTGB-DGOQSOAVSA-N
XLogP13.63
TPSA601.65 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms207
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002987.56
LogP ≤ 513.63
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze (3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
The IUPAC name of (3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid (CID 159350935) is (3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
The canonical SMILES for (3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid is CN(C)C(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.CNC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.NC(=O)C1CCN(C(=O)c2nc(C(F)(F)F)n3c2CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC3)CC1.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCCC3)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)O)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H]1CCCN(C(=O)c2nc(C(F)(F)F)n3c2CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC3)C1.
What is the InChIKey of (3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
The InChIKey is LHHWBHOFFCNTGB-DGOQSOAVSA-N. The full InChI is InChI=1S/C24H26F6N6O3.C23H26F6N6O2.C22H23F6N5O2.C20H21F6N5O2.C19H19F6N5O2.C18H16F6N4O3/c25-15-10-17(27)16(26)8-13(15)7-14(31)9-19(37)35-5-6-36-18(11-35)20(33-23(36)24(28,29)30)22(39)34-3-1-12(2-4-34)21(32)38;24-15-9-17(26)16(25)7-12(15)6-14(31)8-19(36)33-4-5-35-18(11-33)20(32-22(35)23(27,28)29)21(37)34-3-1-2-13(30)10-34;23-14-10-16(25)15(24)8-12(14)7-13(29)9-18(34)32-5-6-33-17(11-32)19(30-21(33)22(26,27)28)20(35)31-3-1-2-4-31;1-29(2)18(33)17-15-9-30(3-4-31(15)19(28-17)20(24,25)26)16(32)7-11(27)5-10-6-13(22)14(23)8-12(10)21;1-27-17(32)16-14-8-29(2-3-30(14)18(28-16)19(23,24)25)15(31)6-10(26)4-9-5-12(21)13(22)7-11(9)20;19-10-6-12(21)11(20)4-8(10)3-9(25)5-14(29)27-1-2-28-13(7-27)15(16(30)31)26-17(28)18(22,23)24/h8,10,12,14H,1-7,9,11,31H2,(H2,32,38);7,9,13-14H,1-6,8,10-11,30-31H2;8,10,13H,1-7,9,11,29H2;6,8,11H,3-5,7,9,27H2,1-2H3;5,7,10H,2-4,6,8,26H2,1H3,(H,27,32);4,6,9H,1-3,5,7,25H2,(H,30,31)/t14-;13-,14-;13-;11-;10-;9-/m111111/s1.
What are the key properties of (3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid?
(3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid has a molecular weight of 2987.56 g/mol, XLogP of 13.63, 31 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[1-[(3R)-3-aminopiperidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(pyrrolidine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N,N-dimethyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;1-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]piperidine-4-carboxamide;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid is sourced from PubChem (CID 159350935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).