tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-[1-(trifluoromethyl)cyclopropyl]aniline

C123H149F12N17O17 — CID 167557651

About tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-[1-(trifluoromethyl)cyclopropyl]aniline

tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-[1-(trifluoromethyl)cyclopropyl]aniline (PubChem CID 167557651) has the molecular formula C123H149F12N17O17 and a molecular weight of 2365.62 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-[1-(trifluoromethyl)cyclopropyl]aniline.

Molecular Properties

• Compound Name: tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-[1-(trifluoromethyl)cyclopropyl]aniline
• PubChem CID: 167557651
• Molecular Formula: C123H149F12N17O17
• Molecular Weight: 2365.62 g/mol
• Exact Mass: 2364.11
• IUPAC Name: tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-[1-(trifluoromethyl)cyclopropyl]aniline
• SMILES: CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(c1ccc(C2(C(F)(F)F)CC2)cc1)C(C(=O)NC1CCCCC1)c1cccnc1.CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)O.N#CN1C[C@H](O)C[C@@H]1C(=O)N(c1ccc(C2(C(F)(F)F)CC2)cc1)C(C(=O)NC1CCCCC1)c1cccnc1.Nc1ccc(C2(C(F)(F)F)CC2)cc1.O=C(NC1CCCCC1)C(c1cccnc1)N(C(=O)[C@H]1C[C@@H](O)CN1)c1ccc(C2(C(F)(F)F)CC2)cc1.O=Cc1cccnc1.[C-]#[N+]C1CCCCC1
• InChI: InChI=1S/C33H41F3N4O5.C29H32F3N5O3.C28H33F3N4O3.C10H10F3N.C10H17NO5.C7H11N.C6H5NO/c1-31(2,3)45-30(44)39-20-25(41)18-26(39)29(43)40(24-13-11-22(12-14-24)32(15-16-32)33(34,35)36)27(21-8-7-17-37-19-21)28(42)38-23-9-5-4-6-10-23;30-29(31,32)28(12-13-28)20-8-10-22(11-9-20)37(27(40)24-15-23(38)17-36(24)18-33)25(19-5-4-14-34-16-19)26(39)35-21-6-2-1-3-7-21;29-28(30,31)27(12-13-27)19-8-10-21(11-9-19)35(26(38)23-15-22(36)17-33-23)24(18-5-4-14-32-16-18)25(37)34-20-6-2-1-3-7-20;11-10(12,13)9(5-6-9)7-1-3-8(14)4-2-7;1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14;1-8-7-5-3-2-4-6-7;8-5-6-2-1-3-7-4-6/h7-8,11-14,17,19,23,25-27,41H,4-6,9-10,15-16,18,20H2,1-3H3,(H,38,42);4-5,8-11,14,16,21,23-25,38H,1-3,6-7,12-13,15,17H2,(H,35,39);4-5,8-11,14,16,20,22-24,33,36H,1-3,6-7,12-13,15,17H2,(H,34,37);1-4H,5-6,14H2;6-7,12H,4-5H2,1-3H3,(H,13,14);7H,2-6H2;1-5H/t25-,26-,27?;23-,24-,25?;22-,23-,24?;;6-,7-;;/m111.1../s1
• InChIKey: DFJLUYXHSCCUFY-SYNGJNKPSA-N
• XLogP: 20.04
• TPSA: 463.60 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2365.62
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-[1-(trifluoromethyl)cyclopropyl]aniline?

The IUPAC name of tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-[1-(trifluoromethyl)cyclopropyl]aniline (CID 167557651) is tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-[1-(trifluoromethyl)cyclopropyl]aniline.

What is the SMILES notation for tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-[1-(trifluoromethyl)cyclopropyl]aniline?

The canonical SMILES for tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-[1-(trifluoromethyl)cyclopropyl]aniline is CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(c1ccc(C2(C(F)(F)F)CC2)cc1)C(C(=O)NC1CCCCC1)c1cccnc1.CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)O.N#CN1C[C@H](O)C[C@@H]1C(=O)N(c1ccc(C2(C(F)(F)F)CC2)cc1)C(C(=O)NC1CCCCC1)c1cccnc1.Nc1ccc(C2(C(F)(F)F)CC2)cc1.O=C(NC1CCCCC1)C(c1cccnc1)N(C(=O)[C@H]1C[C@@H](O)CN1)c1ccc(C2(C(F)(F)F)CC2)cc1.O=Cc1cccnc1.[C-]#[N+]C1CCCCC1.

What is the InChIKey of tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-[1-(trifluoromethyl)cyclopropyl]aniline?

The InChIKey is DFJLUYXHSCCUFY-SYNGJNKPSA-N. The full InChI is InChI=1S/C33H41F3N4O5.C29H32F3N5O3.C28H33F3N4O3.C10H10F3N.C10H17NO5.C7H11N.C6H5NO/c1-31(2,3)45-30(44)39-20-25(41)18-26(39)29(43)40(24-13-11-22(12-14-24)32(15-16-32)33(34,35)36)27(21-8-7-17-37-19-21)28(42)38-23-9-5-4-6-10-23;30-29(31,32)28(12-13-28)20-8-10-22(11-9-20)37(27(40)24-15-23(38)17-36(24)18-33)25(19-5-4-14-34-16-19)26(39)35-21-6-2-1-3-7-21;29-28(30,31)27(12-13-27)19-8-10-21(11-9-19)35(26(38)23-15-22(36)17-33-23)24(18-5-4-14-32-16-18)25(37)34-20-6-2-1-3-7-20;11-10(12,13)9(5-6-9)7-1-3-8(14)4-2-7;1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14;1-8-7-5-3-2-4-6-7;8-5-6-2-1-3-7-4-6/h7-8,11-14,17,19,23,25-27,41H,4-6,9-10,15-16,18,20H2,1-3H3,(H,38,42);4-5,8-11,14,16,21,23-25,38H,1-3,6-7,12-13,15,17H2,(H,35,39);4-5,8-11,14,16,20,22-24,33,36H,1-3,6-7,12-13,15,17H2,(H,34,37);1-4H,5-6,14H2;6-7,12H,4-5H2,1-3H3,(H,13,14);7H,2-6H2;1-5H/t25-,26-,27?;23-,24-,25?;22-,23-,24?;;6-,7-;;/m111.1../s1.

What are the key properties of tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-[1-(trifluoromethyl)cyclopropyl]aniline?

tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-[1-(trifluoromethyl)cyclopropyl]aniline has a molecular weight of 2365.62 g/mol, XLogP of 20.04, 24 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-[1-(trifluoromethyl)cyclopropyl]aniline is sourced from PubChem (CID 167557651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).