(2R,3R)-2,3-dihydroxy-4-morpholin-4-yl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperazin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[2-[4-(2-ethoxy-4-fluorophenyl)phenyl]propan-2-yl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide

C128H156F6N20O28 — CID 159173626

About (2R,3R)-2,3-dihydroxy-4-morpholin-4-yl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperazin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[2-[4-(2-ethoxy-4-fluorophenyl)phenyl]propan-2-yl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide

(2R,3R)-2,3-dihydroxy-4-morpholin-4-yl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperazin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[2-[4-(2-ethoxy-4-fluorophenyl)phenyl]propan-2-yl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 159173626) has the molecular formula C128H156F6N20O28 and a molecular weight of 2536.76 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-4-morpholin-4-yl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperazin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[2-[4-(2-ethoxy-4-fluorophenyl)phenyl]propan-2-yl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

• Compound Name: (2R,3R)-2,3-dihydroxy-4-morpholin-4-yl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperazin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[2-[4-(2-ethoxy-4-fluorophenyl)phenyl]propan-2-yl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
• PubChem CID: 159173626
• Molecular Formula: C128H156F6N20O28
• Molecular Weight: 2536.76 g/mol
• Exact Mass: 2535.13
• IUPAC Name: (2R,3R)-2,3-dihydroxy-4-morpholin-4-yl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperazin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[2-[4-(2-ethoxy-4-fluorophenyl)phenyl]propan-2-yl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
• SMILES: CCOc1cc(F)ccc1-c1ccc(C(C)(C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CCOc1cc(F)ccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)nc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCCCC1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCNCC1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCOCC1)c1ccc(-n2cccn2)cc1.O=C(NCc1ccc(-c2ccc(F)cc2OCC(F)(F)F)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1
• InChI: InChI=1S/C25H31FN2O5.C23H24F4N2O5.C22H26FN3O5.C20H26N4O4.C19H25N5O4.C19H24N4O5/c1-4-33-20-15-18(26)11-12-19(20)16-7-9-17(10-8-16)25(2,3)27-23(31)21(29)22(30)24(32)28-13-5-6-14-28;24-16-7-8-17(18(11-16)34-13-23(25,26)27)15-5-3-14(4-6-15)12-28-21(32)19(30)20(31)22(33)29-9-1-2-10-29;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;1-14(15-6-8-16(9-7-15)24-13-5-10-21-24)22-19(27)17(25)18(26)20(28)23-11-3-2-4-12-23;1-13(14-3-5-15(6-4-14)24-10-2-7-21-24)22-18(27)16(25)17(26)19(28)23-11-8-20-9-12-23;1-13(14-3-5-15(6-4-14)23-8-2-7-20-23)21-18(26)16(24)17(25)19(27)22-9-11-28-12-10-22/h7-12,15,21-22,29-30H,4-6,13-14H2,1-3H3,(H,27,31);3-8,11,19-20,30-31H,1-2,9-10,12-13H2,(H,28,32);5-8,11-12,19-20,27-28H,2-4,9-10,13H2,1H3,(H,25,29);5-10,13-14,17-18,25-26H,2-4,11-12H2,1H3,(H,22,27);2-7,10,13,16-17,20,25-26H,8-9,11-12H2,1H3,(H,22,27);2-8,13,16-17,24-25H,9-12H2,1H3,(H,21,26)/t21-,22-;2*19-,20-;14-,17-,18-;2*13-,16-,17-/m111111/s1
• InChIKey: KLZRGDRKTJDXSR-FFIDEHBSSA-N
• XLogP: 5.84
• TPSA: 654.52 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2536.76
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-4-morpholin-4-yl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperazin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[2-[4-(2-ethoxy-4-fluorophenyl)phenyl]propan-2-yl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?

The IUPAC name of (2R,3R)-2,3-dihydroxy-4-morpholin-4-yl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperazin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[2-[4-(2-ethoxy-4-fluorophenyl)phenyl]propan-2-yl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 159173626) is (2R,3R)-2,3-dihydroxy-4-morpholin-4-yl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperazin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[2-[4-(2-ethoxy-4-fluorophenyl)phenyl]propan-2-yl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide.

What is the SMILES notation for (2R,3R)-2,3-dihydroxy-4-morpholin-4-yl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperazin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[2-[4-(2-ethoxy-4-fluorophenyl)phenyl]propan-2-yl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?

The canonical SMILES for (2R,3R)-2,3-dihydroxy-4-morpholin-4-yl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperazin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[2-[4-(2-ethoxy-4-fluorophenyl)phenyl]propan-2-yl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide is CCOc1cc(F)ccc1-c1ccc(C(C)(C)NC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)cc1.CCOc1cc(F)ccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)nc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCCCC1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCNCC1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCOCC1)c1ccc(-n2cccn2)cc1.O=C(NCc1ccc(-c2ccc(F)cc2OCC(F)(F)F)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.

What is the InChIKey of (2R,3R)-2,3-dihydroxy-4-morpholin-4-yl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperazin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[2-[4-(2-ethoxy-4-fluorophenyl)phenyl]propan-2-yl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?

The InChIKey is KLZRGDRKTJDXSR-FFIDEHBSSA-N. The full InChI is InChI=1S/C25H31FN2O5.C23H24F4N2O5.C22H26FN3O5.C20H26N4O4.C19H25N5O4.C19H24N4O5/c1-4-33-20-15-18(26)11-12-19(20)16-7-9-17(10-8-16)25(2,3)27-23(31)21(29)22(30)24(32)28-13-5-6-14-28;24-16-7-8-17(18(11-16)34-13-23(25,26)27)15-5-3-14(4-6-15)12-28-21(32)19(30)20(31)22(33)29-9-1-2-10-29;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;1-14(15-6-8-16(9-7-15)24-13-5-10-21-24)22-19(27)17(25)18(26)20(28)23-11-3-2-4-12-23;1-13(14-3-5-15(6-4-14)24-10-2-7-21-24)22-18(27)16(25)17(26)19(28)23-11-8-20-9-12-23;1-13(14-3-5-15(6-4-14)23-8-2-7-20-23)21-18(26)16(24)17(25)19(27)22-9-11-28-12-10-22/h7-12,15,21-22,29-30H,4-6,13-14H2,1-3H3,(H,27,31);3-8,11,19-20,30-31H,1-2,9-10,12-13H2,(H,28,32);5-8,11-12,19-20,27-28H,2-4,9-10,13H2,1H3,(H,25,29);5-10,13-14,17-18,25-26H,2-4,11-12H2,1H3,(H,22,27);2-7,10,13,16-17,20,25-26H,8-9,11-12H2,1H3,(H,22,27);2-8,13,16-17,24-25H,9-12H2,1H3,(H,21,26)/t21-,22-;2*19-,20-;14-,17-,18-;2*13-,16-,17-/m111111/s1.

What are the key properties of (2R,3R)-2,3-dihydroxy-4-morpholin-4-yl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperazin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[2-[4-(2-ethoxy-4-fluorophenyl)phenyl]propan-2-yl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?

(2R,3R)-2,3-dihydroxy-4-morpholin-4-yl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperazin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[2-[4-(2-ethoxy-4-fluorophenyl)phenyl]propan-2-yl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 2536.76 g/mol, XLogP of 5.84, 42 rotatable bonds, 19 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-2,3-dihydroxy-4-morpholin-4-yl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperazin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-piperidin-1-yl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[2-[4-(2-ethoxy-4-fluorophenyl)phenyl]propan-2-yl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[5-(2-ethoxy-4-fluorophenyl)-2-pyridinyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 159173626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).