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

C119H145F16N17O17 — CID 167610478

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

tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-(1,1,1,2-tetrafluoropropan-2-yl)aniline (PubChem CID 167610478) has the molecular formula C119H145F16N17O17 and a molecular weight of 2389.54 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-(1,1,1,2-tetrafluoropropan-2-yl)aniline.

Molecular Properties

• Compound Name: tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-(1,1,1,2-tetrafluoropropan-2-yl)aniline
• PubChem CID: 167610478
• Molecular Formula: C119H145F16N17O17
• Molecular Weight: 2389.54 g/mol
• Exact Mass: 2388.07
• IUPAC Name: tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-(1,1,1,2-tetrafluoropropan-2-yl)aniline
• SMILES: CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(c1ccc(C(C)(F)C(F)(F)F)cc1)C(C(=O)NC1CCCCC1)c1cccnc1.CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)O.CC(F)(c1ccc(N(C(=O)[C@H]2C[C@@H](O)CN2)C(C(=O)NC2CCCCC2)c2cccnc2)cc1)C(F)(F)F.CC(F)(c1ccc(N(C(=O)[C@H]2C[C@@H](O)CN2C#N)C(C(=O)NC2CCCCC2)c2cccnc2)cc1)C(F)(F)F.CC(F)(c1ccc(N)cc1)C(F)(F)F.O=Cc1cccnc1.[C-]#[N+]C1CCCCC1
• InChI: InChI=1S/C32H40F4N4O5.C28H31F4N5O3.C27H32F4N4O3.C10H17NO5.C9H9F4N.C7H11N.C6H5NO/c1-30(2,3)45-29(44)39-19-24(41)17-25(39)28(43)40(23-14-12-21(13-15-23)31(4,33)32(34,35)36)26(20-9-8-16-37-18-20)27(42)38-22-10-6-5-7-11-22;1-27(29,28(30,31)32)19-9-11-21(12-10-19)37(26(40)23-14-22(38)16-36(23)17-33)24(18-6-5-13-34-15-18)25(39)35-20-7-3-2-4-8-20;1-26(28,27(29,30)31)18-9-11-20(12-10-18)35(25(38)22-14-21(36)16-33-22)23(17-6-5-13-32-15-17)24(37)34-19-7-3-2-4-8-19;1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14;1-8(10,9(11,12)13)6-2-4-7(14)5-3-6;1-8-7-5-3-2-4-6-7;8-5-6-2-1-3-7-4-6/h8-9,12-16,18,22,24-26,41H,5-7,10-11,17,19H2,1-4H3,(H,38,42);5-6,9-13,15,20,22-24,38H,2-4,7-8,14,16H2,1H3,(H,35,39);5-6,9-13,15,19,21-23,33,36H,2-4,7-8,14,16H2,1H3,(H,34,37);6-7,12H,4-5H2,1-3H3,(H,13,14);2-5H,14H2,1H3;7H,2-6H2;1-5H/t24-,25-,26?,31?;22-,23-,24?,27?;21-,22-,23?,26?;6-,7-;;;/m1111.../s1
• InChIKey: KYYMQUFDPWVEPL-VSOJMCGCSA-N
• XLogP: 20.65
• 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	2389.54
LogP ≤ 5	20.65
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-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-(1,1,1,2-tetrafluoropropan-2-yl)aniline?

The IUPAC name of tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-(1,1,1,2-tetrafluoropropan-2-yl)aniline (CID 167610478) is tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-(1,1,1,2-tetrafluoropropan-2-yl)aniline.

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

The canonical SMILES for tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-(1,1,1,2-tetrafluoropropan-2-yl)aniline is CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(c1ccc(C(C)(F)C(F)(F)F)cc1)C(C(=O)NC1CCCCC1)c1cccnc1.CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)O.CC(F)(c1ccc(N(C(=O)[C@H]2C[C@@H](O)CN2)C(C(=O)NC2CCCCC2)c2cccnc2)cc1)C(F)(F)F.CC(F)(c1ccc(N(C(=O)[C@H]2C[C@@H](O)CN2C#N)C(C(=O)NC2CCCCC2)c2cccnc2)cc1)C(F)(F)F.CC(F)(c1ccc(N)cc1)C(F)(F)F.O=Cc1cccnc1.[C-]#[N+]C1CCCCC1.

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

The InChIKey is KYYMQUFDPWVEPL-VSOJMCGCSA-N. The full InChI is InChI=1S/C32H40F4N4O5.C28H31F4N5O3.C27H32F4N4O3.C10H17NO5.C9H9F4N.C7H11N.C6H5NO/c1-30(2,3)45-29(44)39-19-24(41)17-25(39)28(43)40(23-14-12-21(13-15-23)31(4,33)32(34,35)36)26(20-9-8-16-37-18-20)27(42)38-22-10-6-5-7-11-22;1-27(29,28(30,31)32)19-9-11-21(12-10-19)37(26(40)23-14-22(38)16-36(23)17-33)24(18-6-5-13-34-15-18)25(39)35-20-7-3-2-4-8-20;1-26(28,27(29,30)31)18-9-11-20(12-10-18)35(25(38)22-14-21(36)16-33-22)23(17-6-5-13-32-15-17)24(37)34-19-7-3-2-4-8-19;1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14;1-8(10,9(11,12)13)6-2-4-7(14)5-3-6;1-8-7-5-3-2-4-6-7;8-5-6-2-1-3-7-4-6/h8-9,12-16,18,22,24-26,41H,5-7,10-11,17,19H2,1-4H3,(H,38,42);5-6,9-13,15,20,22-24,38H,2-4,7-8,14,16H2,1H3,(H,35,39);5-6,9-13,15,19,21-23,33,36H,2-4,7-8,14,16H2,1H3,(H,34,37);6-7,12H,4-5H2,1-3H3,(H,13,14);2-5H,14H2,1H3;7H,2-6H2;1-5H/t24-,25-,26?,31?;22-,23-,24?,27?;21-,22-,23?,26?;6-,7-;;;/m1111.../s1.

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

tert-butyl (2R,4R)-2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-(1,1,1,2-tetrafluoropropan-2-yl)aniline has a molecular weight of 2389.54 g/mol, XLogP of 20.65, 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-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]carbamoyl]-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxy-N-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;isocyanocyclohexane;pyridine-3-carbaldehyde;4-(1,1,1,2-tetrafluoropropan-2-yl)aniline is sourced from PubChem (CID 167610478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).