(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide

C158H182ClF10N19O28 — CID 157199458

About (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide

(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 157199458) has the molecular formula C158H182ClF10N19O28 and a molecular weight of 3020.73 g/mol. Its IUPAC name is (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

• Compound Name: (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
• PubChem CID: 157199458
• Molecular Formula: C158H182ClF10N19O28
• Molecular Weight: 3020.73 g/mol
• Exact Mass: 3018.29
• IUPAC Name: (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
• SMILES: CCOc1cc(F)ccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)nc1.CCOc1ncccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1.O=C(NCC1CCC(n2c(C(F)(F)F)nc3ccccc32)CC1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.O=C(NCC1CCC(n2c(C(F)(F)F)nc3ccccc32)CC1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.O=C(NCc1ccc(-c2ccccc2OC(F)(F)F)cn1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCc1ccc(-c2ccccc2OCCC2CCCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1
• InChI: InChI=1S/2C29H33F3N4O4.C29H38N2O5.C28H30ClN3O5.C22H26FN3O5.C21H22F3N3O5/c2*30-29(31,32)28-34-21-9-4-5-10-23(21)36(28)20-14-12-18(13-15-20)17-33-26(39)24(37)25(38)27(40)35-16-6-11-22(35)19-7-2-1-3-8-19;32-26(27(33)29(35)31-17-6-7-18-31)28(34)30-20-22-12-14-23(15-13-22)24-10-4-5-11-25(24)36-19-16-21-8-2-1-3-9-21;1-2-37-27-22(8-4-14-30-27)19-12-10-18(11-13-19)17-31-26(35)24(33)25(34)28(36)32-15-5-9-23(32)20-6-3-7-21(29)16-20;1-2-31-18-11-15(23)6-8-17(18)14-5-7-16(24-12-14)13-25-21(29)19(27)20(28)22(30)26-9-3-4-10-26;22-21(23,24)32-16-6-2-1-5-15(16)13-7-8-14(25-11-13)12-26-19(30)17(28)18(29)20(31)27-9-3-4-10-27/h2*1-5,7-10,18,20,22,24-25,37-38H,6,11-17H2,(H,33,39);4-5,10-15,21,26-27,32-33H,1-3,6-9,16-20H2,(H,30,34);3-4,6-8,10-14,16,23-25,33-34H,2,5,9,15,17H2,1H3,(H,31,35);5-8,11-12,19-20,27-28H,2-4,9-10,13H2,1H3,(H,25,29);1-2,5-8,11,17-18,28-29H,3-4,9-10,12H2,(H,26,30)/t2*18?,20?,22-,24-,25-;26-,27-;23-,24-,25-;19-,20-;17-,18-/m111111/s1
• InChIKey: AQPZQZFISDUZLG-YDEPOCNISA-N
• XLogP: 18.00
• TPSA: 650.45 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 35
• Rotatable Bonds: 48
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3020.73
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?

The IUPAC name of (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 157199458) is (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide.

What is the SMILES notation for (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?

The canonical SMILES for (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide is CCOc1cc(F)ccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)nc1.CCOc1ncccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)cc1.O=C(NCC1CCC(n2c(C(F)(F)F)nc3ccccc32)CC1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.O=C(NCC1CCC(n2c(C(F)(F)F)nc3ccccc32)CC1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.O=C(NCc1ccc(-c2ccccc2OC(F)(F)F)cn1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCc1ccc(-c2ccccc2OCCC2CCCCC2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.

What is the InChIKey of (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?

The InChIKey is AQPZQZFISDUZLG-YDEPOCNISA-N. The full InChI is InChI=1S/2C29H33F3N4O4.C29H38N2O5.C28H30ClN3O5.C22H26FN3O5.C21H22F3N3O5/c2*30-29(31,32)28-34-21-9-4-5-10-23(21)36(28)20-14-12-18(13-15-20)17-33-26(39)24(37)25(38)27(40)35-16-6-11-22(35)19-7-2-1-3-8-19;32-26(27(33)29(35)31-17-6-7-18-31)28(34)30-20-22-12-14-23(15-13-22)24-10-4-5-11-25(24)36-19-16-21-8-2-1-3-9-21;1-2-37-27-22(8-4-14-30-27)19-12-10-18(11-13-19)17-31-26(35)24(33)25(34)28(36)32-15-5-9-23(32)20-6-3-7-21(29)16-20;1-2-31-18-11-15(23)6-8-17(18)14-5-7-16(24-12-14)13-25-21(29)19(27)20(28)22(30)26-9-3-4-10-26;22-21(23,24)32-16-6-2-1-5-15(16)13-7-8-14(25-11-13)12-26-19(30)17(28)18(29)20(31)27-9-3-4-10-27/h2*1-5,7-10,18,20,22,24-25,37-38H,6,11-17H2,(H,33,39);4-5,10-15,21,26-27,32-33H,1-3,6-9,16-20H2,(H,30,34);3-4,6-8,10-14,16,23-25,33-34H,2,5,9,15,17H2,1H3,(H,31,35);5-8,11-12,19-20,27-28H,2-4,9-10,13H2,1H3,(H,25,29);1-2,5-8,11,17-18,28-29H,3-4,9-10,12H2,(H,26,30)/t2*18?,20?,22-,24-,25-;26-,27-;23-,24-,25-;19-,20-;17-,18-/m111111/s1.

What are the key properties of (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?

(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 3020.73 g/mol, XLogP of 18.00, 48 rotatable bonds, 18 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[[4-(2-ethoxy-3-pyridinyl)phenyl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[4-[2-(2-cyclohexylethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;bis((2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide);(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]butanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 157199458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).