(2S,4R)-1-(2-amino-3,3,3-trifluoropropanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(3-methyl-4-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide

C104H119F3N16O16S2 — CID 161343705

About (2S,4R)-1-(2-amino-3,3,3-trifluoropropanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(3-methyl-4-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide

(2S,4R)-1-(2-amino-3,3,3-trifluoropropanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(3-methyl-4-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide (PubChem CID 161343705) has the molecular formula C104H119F3N16O16S2 and a molecular weight of 1970.32 g/mol. Its IUPAC name is (2S,4R)-1-(2-amino-3,3,3-trifluoropropanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(3-methyl-4-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-1-(2-amino-3,3,3-trifluoropropanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(3-methyl-4-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide
• PubChem CID: 161343705
• Molecular Formula: C104H119F3N16O16S2
• Molecular Weight: 1970.32 g/mol
• Exact Mass: 1968.84
• IUPAC Name: (2S,4R)-1-(2-amino-3,3,3-trifluoropropanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(3-methyl-4-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide
• SMILES: COc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1cnccc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(N)C(F)(F)F)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)c2cccnc2)C(C)(C)C)cc1
• InChI: InChI=1S/C31H34N4O4.C28H33N5O4S.C26H31N3O5.C19H21F3N4O3S/c1-19(2)28(35-17-23-6-4-5-7-26(23)30(35)38)31(39)34-18-24(36)14-27(34)29(37)33-16-21-8-10-22(11-9-21)25-12-13-32-15-20(25)3;1-17-23(38-16-31-17)19-9-7-18(8-10-19)13-30-26(36)22-12-21(34)15-33(22)27(37)24(28(2,3)4)32-25(35)20-6-5-11-29-14-20;1-16(2)23(29-14-18-6-4-5-7-21(18)25(29)32)26(33)28-15-19(30)12-22(28)24(31)27-13-17-8-10-20(34-3)11-9-17;1-10-15(30-9-25-10)12-4-2-11(3-5-12)7-24-17(28)14-6-13(27)8-26(14)18(29)16(23)19(20,21)22/h4-13,15,19,24,27-28,36H,14,16-18H2,1-3H3,(H,33,37);5-11,14,16,21-22,24,34H,12-13,15H2,1-4H3,(H,30,36)(H,32,35);4-11,16,19,22-23,30H,12-15H2,1-3H3,(H,27,31);2-5,9,13-14,16,27H,6-8,23H2,1H3,(H,24,28)/t24-,27+,28+;21-,22+,24-;19-,22+,23+;13-,14+,16?/m1111/s1
• InChIKey: VNACSZAKBMOVMD-IHPGWAFFSA-N
• XLogP: 9.79
• TPSA: 435.09 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1970.32
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2-amino-3,3,3-trifluoropropanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(3-methyl-4-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide?

The IUPAC name of (2S,4R)-1-(2-amino-3,3,3-trifluoropropanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(3-methyl-4-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide (CID 161343705) is (2S,4R)-1-(2-amino-3,3,3-trifluoropropanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(3-methyl-4-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for (2S,4R)-1-(2-amino-3,3,3-trifluoropropanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(3-methyl-4-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide?

The canonical SMILES for (2S,4R)-1-(2-amino-3,3,3-trifluoropropanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(3-methyl-4-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide is COc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1cnccc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(N)C(F)(F)F)cc1.Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)c2cccnc2)C(C)(C)C)cc1.

What is the InChIKey of (2S,4R)-1-(2-amino-3,3,3-trifluoropropanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(3-methyl-4-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide?

The InChIKey is VNACSZAKBMOVMD-IHPGWAFFSA-N. The full InChI is InChI=1S/C31H34N4O4.C28H33N5O4S.C26H31N3O5.C19H21F3N4O3S/c1-19(2)28(35-17-23-6-4-5-7-26(23)30(35)38)31(39)34-18-24(36)14-27(34)29(37)33-16-21-8-10-22(11-9-21)25-12-13-32-15-20(25)3;1-17-23(38-16-31-17)19-9-7-18(8-10-19)13-30-26(36)22-12-21(34)15-33(22)27(37)24(28(2,3)4)32-25(35)20-6-5-11-29-14-20;1-16(2)23(29-14-18-6-4-5-7-21(18)25(29)32)26(33)28-15-19(30)12-22(28)24(31)27-13-17-8-10-20(34-3)11-9-17;1-10-15(30-9-25-10)12-4-2-11(3-5-12)7-24-17(28)14-6-13(27)8-26(14)18(29)16(23)19(20,21)22/h4-13,15,19,24,27-28,36H,14,16-18H2,1-3H3,(H,33,37);5-11,14,16,21-22,24,34H,12-13,15H2,1-4H3,(H,30,36)(H,32,35);4-11,16,19,22-23,30H,12-15H2,1-3H3,(H,27,31);2-5,9,13-14,16,27H,6-8,23H2,1H3,(H,24,28)/t24-,27+,28+;21-,22+,24-;19-,22+,23+;13-,14+,16?/m1111/s1.

What are the key properties of (2S,4R)-1-(2-amino-3,3,3-trifluoropropanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(3-methyl-4-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide?

(2S,4R)-1-(2-amino-3,3,3-trifluoropropanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(3-methyl-4-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide has a molecular weight of 1970.32 g/mol, XLogP of 9.79, 26 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-1-(2-amino-3,3,3-trifluoropropanoyl)-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(3-methyl-4-pyridinyl)phenyl]methyl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 161343705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).