(2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide

C114H135F9N20O8S — CID 167601402

IUPAC(2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide
SMILESC[C@@H]1C[C@H](C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H](C(=O)NC2CCCCC2)c2cncc(F)c2)N(C#N)C1.C[C@@H]1C[C@H](C(=O)N(c2ccc(C3CC3)c(F)c2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)N(C#N)C1.C[C@@H]1C[C@H](C(=O)N(c2ccc(C3CC3)cc2F)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)N(C#N)C1.C[C@@H]1C[C@H](C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)[C@@H](C(=O)NC2CCCCC2)c2cncc(F)c2)N(C#N)C1
InChIInChI=1S/C30H38FN5O2.2C29H34FN5O2.C26H29F6N5O2S/c1-20-14-26(35(18-20)19-32)29(38)36(25-12-10-22(11-13-25)30(2,3)4)27(21-15-23(31)17-33-16-21)28(37)34-24-8-6-5-7-9-24;1-19-14-26(34(17-19)18-31)29(37)35(25-12-11-21(15-24(25)30)20-9-10-20)27(22-6-5-13-32-16-22)28(36)33-23-7-3-2-4-8-23;1-19-14-26(34(17-19)18-31)29(37)35(23-11-12-24(20-9-10-20)25(30)15-23)27(21-6-5-13-32-16-21)28(36)33-22-7-3-2-4-8-22;1-17-11-23(36(15-17)16-33)26(39)37(21-7-9-22(10-8-21)40(28,29,30,31)32)24(18-12-19(27)14-34-13-18)25(38)35-20-5-3-2-4-6-20/h10-13,15-17,20,24,26-27H,5-9,14,18H2,1-4H3,(H,34,37);5-6,11-13,15-16,19-20,23,26-27H,2-4,7-10,14,17H2,1H3,(H,33,36);5-6,11-13,15-16,19-20,22,26-27H,2-4,7-10,14,17H2,1H3,(H,33,36);7-10,12-14,17,20,23-24H,2-6,11,15H2,1H3,(H,35,38)/t20-,26-,27-;2*19-,26-,27-;17-,23-,24-/m1111/s1
InChIKeyJUAVGERSUSPHGS-BAGSZIQKSA-N
MW2116.51 g/mol
LogP21.45
Rot. Bonds27

About (2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide

(2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide (PubChem CID 167601402) has the molecular formula C114H135F9N20O8S and a molecular weight of 2116.51 g/mol. Its IUPAC name is (2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide
PubChem CID167601402
Molecular FormulaC114H135F9N20O8S
Molecular Weight2116.51 g/mol
Exact Mass2115.03
IUPAC Name(2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide
SMILESC[C@@H]1C[C@H](C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H](C(=O)NC2CCCCC2)c2cncc(F)c2)N(C#N)C1.C[C@@H]1C[C@H](C(=O)N(c2ccc(C3CC3)c(F)c2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)N(C#N)C1.C[C@@H]1C[C@H](C(=O)N(c2ccc(C3CC3)cc2F)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)N(C#N)C1.C[C@@H]1C[C@H](C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)[C@@H](C(=O)NC2CCCCC2)c2cncc(F)c2)N(C#N)C1
InChIInChI=1S/C30H38FN5O2.2C29H34FN5O2.C26H29F6N5O2S/c1-20-14-26(35(18-20)19-32)29(38)36(25-12-10-22(11-13-25)30(2,3)4)27(21-15-23(31)17-33-16-21)28(37)34-24-8-6-5-7-9-24;1-19-14-26(34(17-19)18-31)29(37)35(25-12-11-21(15-24(25)30)20-9-10-20)27(22-6-5-13-32-16-22)28(36)33-23-7-3-2-4-8-23;1-19-14-26(34(17-19)18-31)29(37)35(23-11-12-24(20-9-10-20)25(30)15-23)27(21-6-5-13-32-16-21)28(36)33-22-7-3-2-4-8-22;1-17-11-23(36(15-17)16-33)26(39)37(21-7-9-22(10-8-21)40(28,29,30,31)32)24(18-12-19(27)14-34-13-18)25(38)35-20-5-3-2-4-6-20/h10-13,15-17,20,24,26-27H,5-9,14,18H2,1-4H3,(H,34,37);5-6,11-13,15-16,19-20,23,26-27H,2-4,7-10,14,17H2,1H3,(H,33,36);5-6,11-13,15-16,19-20,22,26-27H,2-4,7-10,14,17H2,1H3,(H,33,36);7-10,12-14,17,20,23-24H,2-6,11,15H2,1H3,(H,35,38)/t20-,26-,27-;2*19-,26-,27-;17-,23-,24-/m1111/s1
InChIKeyJUAVGERSUSPHGS-BAGSZIQKSA-N
XLogP21.45
TPSA357.32 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002116.51
LogP ≤ 521.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze (2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 156894015
(2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-fluoropyrrolidine-2-carboxamide
CID 166799377
N-(4-tert-butylphenyl)-1,4-dicyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 156893518
(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methyl-N-(4-phenylphenyl)pyrrolidine-2-carboxamide
CID 167604512
(2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-(difluoromethoxy)pyrrolidine-2-carboxamide
CID 166040174
N-(4-tert-butylphenyl)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-3-hydroxyazetidine-2-carboxamide
CID 156893524
(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
CID 167559529
(3S,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-3,4-dihydroxypyrrolidine-2-carboxamide
CID 166040324
N-(4-tert-butylphenyl)-N-[1-(5-chloro-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1-cyano-4-hydroxypyrrolidine-2-carboxamide
CID 166040984
N-cyclohexyl-2-(4-cyclopropyl-3-fluoro-N-methylanilino)-2-pyridin-3-ylacetamide;2-formyl-4-hydroxypyrrolidine-1-carbonitrile
CID 156892625
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1-methyl-3-(trifluoromethyl)azetidine-2-carboxamide
CID 156893029
(2R,4R)-N-(4-tert-butyl-2-fluorophenyl)-1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methoxypyrrolidine-2-carboxamide
CID 156892930

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide (CID 167601402) is (2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide is C[C@@H]1C[C@H](C(=O)N(c2ccc(C(C)(C)C)cc2)[C@@H](C(=O)NC2CCCCC2)c2cncc(F)c2)N(C#N)C1.C[C@@H]1C[C@H](C(=O)N(c2ccc(C3CC3)c(F)c2)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)N(C#N)C1.C[C@@H]1C[C@H](C(=O)N(c2ccc(C3CC3)cc2F)[C@@H](C(=O)NC2CCCCC2)c2cccnc2)N(C#N)C1.C[C@@H]1C[C@H](C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)[C@@H](C(=O)NC2CCCCC2)c2cncc(F)c2)N(C#N)C1.
What is the InChIKey of (2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide?
The InChIKey is JUAVGERSUSPHGS-BAGSZIQKSA-N. The full InChI is InChI=1S/C30H38FN5O2.2C29H34FN5O2.C26H29F6N5O2S/c1-20-14-26(35(18-20)19-32)29(38)36(25-12-10-22(11-13-25)30(2,3)4)27(21-15-23(31)17-33-16-21)28(37)34-24-8-6-5-7-9-24;1-19-14-26(34(17-19)18-31)29(37)35(25-12-11-21(15-24(25)30)20-9-10-20)27(22-6-5-13-32-16-22)28(36)33-23-7-3-2-4-8-23;1-19-14-26(34(17-19)18-31)29(37)35(23-11-12-24(20-9-10-20)25(30)15-23)27(21-6-5-13-32-16-21)28(36)33-22-7-3-2-4-8-22;1-17-11-23(36(15-17)16-33)26(39)37(21-7-9-22(10-8-21)40(28,29,30,31)32)24(18-12-19(27)14-34-13-18)25(38)35-20-5-3-2-4-6-20/h10-13,15-17,20,24,26-27H,5-9,14,18H2,1-4H3,(H,34,37);5-6,11-13,15-16,19-20,23,26-27H,2-4,7-10,14,17H2,1H3,(H,33,36);5-6,11-13,15-16,19-20,22,26-27H,2-4,7-10,14,17H2,1H3,(H,33,36);7-10,12-14,17,20,23-24H,2-6,11,15H2,1H3,(H,35,38)/t20-,26-,27-;2*19-,26-,27-;17-,23-,24-/m1111/s1.
What are the key properties of (2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide?
(2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide has a molecular weight of 2116.51 g/mol, XLogP of 21.45, 27 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-(4-tert-butylphenyl)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-4-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-2-fluorophenyl)-4-methylpyrrolidine-2-carboxamide;(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-cyclopropyl-3-fluorophenyl)-4-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 167601402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).