(2R,3R)-4-(6-chloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dichloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R)-2-[(1R)-2-(1,3-dihydroisoindol-2-yl)-1-hydroxy-2-oxoethyl]-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-3-one;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-[1-[2-(methylamino)-1,3-thiazol-4-yl]-1,3-dihydroisoindol-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(4-methyl-1,3-dihydroisoindol-2-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide

C223H233Cl3FN33O35S — CID 157067362

About (2R,3R)-4-(6-chloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dichloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R)-2-[(1R)-2-(1,3-dihydroisoindol-2-yl)-1-hydroxy-2-oxoethyl]-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-3-one;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-[1-[2-(methylamino)-1,3-thiazol-4-yl]-1,3-dihydroisoindol-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(4-methyl-1,3-dihydroisoindol-2-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide

(2R,3R)-4-(6-chloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dichloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R)-2-[(1R)-2-(1,3-dihydroisoindol-2-yl)-1-hydroxy-2-oxoethyl]-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-3-one;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-[1-[2-(methylamino)-1,3-thiazol-4-yl]-1,3-dihydroisoindol-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(4-methyl-1,3-dihydroisoindol-2-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide (PubChem CID 157067362) has the molecular formula C223H233Cl3FN33O35S and a molecular weight of 4092.94 g/mol. Its IUPAC name is (2R,3R)-4-(6-chloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dichloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R)-2-[(1R)-2-(1,3-dihydroisoindol-2-yl)-1-hydroxy-2-oxoethyl]-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-3-one;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-[1-[2-(methylamino)-1,3-thiazol-4-yl]-1,3-dihydroisoindol-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(4-methyl-1,3-dihydroisoindol-2-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide.

Molecular Properties

• Compound Name: (2R,3R)-4-(6-chloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dichloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R)-2-[(1R)-2-(1,3-dihydroisoindol-2-yl)-1-hydroxy-2-oxoethyl]-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-3-one;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-[1-[2-(methylamino)-1,3-thiazol-4-yl]-1,3-dihydroisoindol-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(4-methyl-1,3-dihydroisoindol-2-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
• PubChem CID: 157067362
• Molecular Formula: C223H233Cl3FN33O35S
• Molecular Weight: 4092.94 g/mol
• Exact Mass: 4088.62
• IUPAC Name: (2R,3R)-4-(6-chloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dichloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R)-2-[(1R)-2-(1,3-dihydroisoindol-2-yl)-1-hydroxy-2-oxoethyl]-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-3-one;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-[1-[2-(methylamino)-1,3-thiazol-4-yl]-1,3-dihydroisoindol-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(4-methyl-1,3-dihydroisoindol-2-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
• SMILES: CNc1nc(C2c3ccccc3CN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1.CO[C@@H](C(=O)NCc1ccc(-c2ccc(F)cc2OCCC(C)(C)C)cc1)[C@@H](O)C(=O)N1Cc2cccnc2C1.COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(-n3cccn3)cc1)CC2.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2cc(Cl)c(Cl)cc2C1c1ccccc1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2cc(Cl)ccc2C1c1ccccc1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc21)c1ccc(-n2cccn2)cc1.C[C@H](c1ccc(-n2cccn2)cc1)N1CCO[C@H]([C@@H](O)C(=O)N2Cc3ccccc3C2)C1=O.Cc1cccc2c1CN(C(=O)[C@H](O)[C@@](C)(O)C(=O)N[C@H](C)c1ccc(-n3cccn3)cc1)C2
• InChI: InChI=1S/C32H34N4O6.C31H36FN3O5.C30H28Cl2N4O4.C30H29ClN4O4.C27H28N6O4S.C25H26N4O4.C25H28N4O4.C23H24N4O4/c1-20(21-10-12-24(13-11-21)36-16-7-15-33-36)34-31(39)29(37)30(38)32(40)35-17-14-23-18-26(41-2)27(42-3)19-25(23)28(35)22-8-5-4-6-9-22;1-31(2,3)13-15-40-26-16-23(32)11-12-24(26)21-9-7-20(8-10-21)17-34-29(37)28(39-4)27(36)30(38)35-18-22-6-5-14-33-25(22)19-35;1-18(19-8-10-22(11-9-19)36-14-5-13-33-36)34-29(39)27(37)28(38)30(40)35-15-12-21-16-24(31)25(32)17-23(21)26(35)20-6-3-2-4-7-20;1-19(20-8-11-24(12-9-20)35-16-5-15-32-35)33-29(38)27(36)28(37)30(39)34-17-14-22-18-23(31)10-13-25(22)26(34)21-6-3-2-4-7-21;1-16(17-8-10-19(11-9-17)33-13-5-12-29-33)30-25(36)23(34)24(35)26(37)32-14-18-6-3-4-7-20(18)22(32)21-15-38-27(28-2)31-21;1-17(18-7-9-21(10-8-18)29-12-4-11-26-29)28-13-14-33-23(25(28)32)22(30)24(31)27-15-19-5-2-3-6-20(19)16-27;1-16-6-4-7-19-14-28(15-21(16)19)23(31)22(30)25(3,33)24(32)27-17(2)18-8-10-20(11-9-18)29-13-5-12-26-29;1-15(16-7-9-18(10-8-16)27-13-4-12-24-27)25-22(30)20(28)21(29)23(31)26-14-11-17-5-2-3-6-19(17)26/h4-13,15-16,18-20,28-30,37-38H,14,17H2,1-3H3,(H,34,39);5-12,14,16,27-28,36H,13,15,17-19H2,1-4H3,(H,34,37);2-11,13-14,16-18,26-28,37-38H,12,15H2,1H3,(H,34,39);2-13,15-16,18-19,26-28,36-37H,14,17H2,1H3,(H,33,38);3-13,15-16,22-24,34-35H,14H2,1-2H3,(H,28,31)(H,30,36);2-12,17,22-23,30H,13-16H2,1H3;4-13,17,22,30,33H,14-15H2,1-3H3,(H,27,32);2-10,12-13,15,20-21,28-29H,11,14H2,1H3,(H,25,30)/t20-,28?,29-,30-;27-,28-;18-,26?,27-,28-;19-,26?,27-,28-;16-,22?,23-,24-;17-,22-,23-;17-,22+,25-;15-,20-,21-/m11111111/s1
• InChIKey: ACAMGHWUMNPGPD-JHISAWRISA-N
• XLogP: 22.89
• TPSA: 878.41 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 53
• Rotatable Bonds: 58
• Heavy Atoms: 296
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4092.94
LogP ≤ 5	22.89
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-(6-chloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dichloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R)-2-[(1R)-2-(1,3-dihydroisoindol-2-yl)-1-hydroxy-2-oxoethyl]-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-3-one;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-[1-[2-(methylamino)-1,3-thiazol-4-yl]-1,3-dihydroisoindol-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(4-methyl-1,3-dihydroisoindol-2-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?

The IUPAC name of (2R,3R)-4-(6-chloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dichloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R)-2-[(1R)-2-(1,3-dihydroisoindol-2-yl)-1-hydroxy-2-oxoethyl]-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-3-one;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-[1-[2-(methylamino)-1,3-thiazol-4-yl]-1,3-dihydroisoindol-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(4-methyl-1,3-dihydroisoindol-2-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide (CID 157067362) is (2R,3R)-4-(6-chloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dichloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R)-2-[(1R)-2-(1,3-dihydroisoindol-2-yl)-1-hydroxy-2-oxoethyl]-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-3-one;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-[1-[2-(methylamino)-1,3-thiazol-4-yl]-1,3-dihydroisoindol-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(4-methyl-1,3-dihydroisoindol-2-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide.

What is the SMILES notation for (2R,3R)-4-(6-chloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dichloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R)-2-[(1R)-2-(1,3-dihydroisoindol-2-yl)-1-hydroxy-2-oxoethyl]-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-3-one;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-[1-[2-(methylamino)-1,3-thiazol-4-yl]-1,3-dihydroisoindol-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(4-methyl-1,3-dihydroisoindol-2-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?

The canonical SMILES for (2R,3R)-4-(6-chloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dichloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R)-2-[(1R)-2-(1,3-dihydroisoindol-2-yl)-1-hydroxy-2-oxoethyl]-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-3-one;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-[1-[2-(methylamino)-1,3-thiazol-4-yl]-1,3-dihydroisoindol-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(4-methyl-1,3-dihydroisoindol-2-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide is CNc1nc(C2c3ccccc3CN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1.CO[C@@H](C(=O)NCc1ccc(-c2ccc(F)cc2OCCC(C)(C)C)cc1)[C@@H](O)C(=O)N1Cc2cccnc2C1.COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(-n3cccn3)cc1)CC2.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2cc(Cl)c(Cl)cc2C1c1ccccc1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2cc(Cl)ccc2C1c1ccccc1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc21)c1ccc(-n2cccn2)cc1.C[C@H](c1ccc(-n2cccn2)cc1)N1CCO[C@H]([C@@H](O)C(=O)N2Cc3ccccc3C2)C1=O.Cc1cccc2c1CN(C(=O)[C@H](O)[C@@](C)(O)C(=O)N[C@H](C)c1ccc(-n3cccn3)cc1)C2.

What is the InChIKey of (2R,3R)-4-(6-chloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dichloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R)-2-[(1R)-2-(1,3-dihydroisoindol-2-yl)-1-hydroxy-2-oxoethyl]-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-3-one;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-[1-[2-(methylamino)-1,3-thiazol-4-yl]-1,3-dihydroisoindol-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(4-methyl-1,3-dihydroisoindol-2-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?

The InChIKey is ACAMGHWUMNPGPD-JHISAWRISA-N. The full InChI is InChI=1S/C32H34N4O6.C31H36FN3O5.C30H28Cl2N4O4.C30H29ClN4O4.C27H28N6O4S.C25H26N4O4.C25H28N4O4.C23H24N4O4/c1-20(21-10-12-24(13-11-21)36-16-7-15-33-36)34-31(39)29(37)30(38)32(40)35-17-14-23-18-26(41-2)27(42-3)19-25(23)28(35)22-8-5-4-6-9-22;1-31(2,3)13-15-40-26-16-23(32)11-12-24(26)21-9-7-20(8-10-21)17-34-29(37)28(39-4)27(36)30(38)35-18-22-6-5-14-33-25(22)19-35;1-18(19-8-10-22(11-9-19)36-14-5-13-33-36)34-29(39)27(37)28(38)30(40)35-15-12-21-16-24(31)25(32)17-23(21)26(35)20-6-3-2-4-7-20;1-19(20-8-11-24(12-9-20)35-16-5-15-32-35)33-29(38)27(36)28(37)30(39)34-17-14-22-18-23(31)10-13-25(22)26(34)21-6-3-2-4-7-21;1-16(17-8-10-19(11-9-17)33-13-5-12-29-33)30-25(36)23(34)24(35)26(37)32-14-18-6-3-4-7-20(18)22(32)21-15-38-27(28-2)31-21;1-17(18-7-9-21(10-8-18)29-12-4-11-26-29)28-13-14-33-23(25(28)32)22(30)24(31)27-15-19-5-2-3-6-20(19)16-27;1-16-6-4-7-19-14-28(15-21(16)19)23(31)22(30)25(3,33)24(32)27-17(2)18-8-10-20(11-9-18)29-13-5-12-26-29;1-15(16-7-9-18(10-8-16)27-13-4-12-24-27)25-22(30)20(28)21(29)23(31)26-14-11-17-5-2-3-6-19(17)26/h4-13,15-16,18-20,28-30,37-38H,14,17H2,1-3H3,(H,34,39);5-12,14,16,27-28,36H,13,15,17-19H2,1-4H3,(H,34,37);2-11,13-14,16-18,26-28,37-38H,12,15H2,1H3,(H,34,39);2-13,15-16,18-19,26-28,36-37H,14,17H2,1H3,(H,33,38);3-13,15-16,22-24,34-35H,14H2,1-2H3,(H,28,31)(H,30,36);2-12,17,22-23,30H,13-16H2,1H3;4-13,17,22,30,33H,14-15H2,1-3H3,(H,27,32);2-10,12-13,15,20-21,28-29H,11,14H2,1H3,(H,25,30)/t20-,28?,29-,30-;27-,28-;18-,26?,27-,28-;19-,26?,27-,28-;16-,22?,23-,24-;17-,22-,23-;17-,22+,25-;15-,20-,21-/m11111111/s1.

What are the key properties of (2R,3R)-4-(6-chloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dichloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R)-2-[(1R)-2-(1,3-dihydroisoindol-2-yl)-1-hydroxy-2-oxoethyl]-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-3-one;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-[1-[2-(methylamino)-1,3-thiazol-4-yl]-1,3-dihydroisoindol-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(4-methyl-1,3-dihydroisoindol-2-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide?

(2R,3R)-4-(6-chloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dichloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R)-2-[(1R)-2-(1,3-dihydroisoindol-2-yl)-1-hydroxy-2-oxoethyl]-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-3-one;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-[1-[2-(methylamino)-1,3-thiazol-4-yl]-1,3-dihydroisoindol-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(4-methyl-1,3-dihydroisoindol-2-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide has a molecular weight of 4092.94 g/mol, XLogP of 22.89, 58 rotatable bonds, 22 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-4-(6-chloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dichloro-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R)-2-[(1R)-2-(1,3-dihydroisoindol-2-yl)-1-hydroxy-2-oxoethyl]-4-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]morpholin-3-one;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-N-[[4-[2-(3,3-dimethylbutoxy)-4-fluorophenyl]phenyl]methyl]-3-hydroxy-2-methoxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-[1-[2-(methylamino)-1,3-thiazol-4-yl]-1,3-dihydroisoindol-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(4-methyl-1,3-dihydroisoindol-2-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 157067362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).