tert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline

C111H117F32N21O13S4 — CID 167560044

IUPACtert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline
SMILESCC(C)(C)OC(=O)N1C[C@@H](C#N)C[C@@H]1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.CC(C)(C)OC(=O)N1C[C@@H](C#N)C[C@@H]1OC=O.N#C[C@@H]1CN[C@@H](C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)C1.N#C[C@H]1C[C@H](C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)N(C#N)C1.Nc1ccc(S(F)(F)(F)(F)F)cc1.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1
InChIInChI=1S/C30H33F8N5O4S.C26H24F8N6O2S.C25H25F8N5O2S.C11H16N2O4.C7H9F2N.C6H6F5NS.C6H4FNO/c1-29(2,3)47-28(46)42-17-18(14-39)12-24(42)27(45)43(22-4-6-23(7-5-22)48(34,35,36,37)38)25(19-13-20(31)16-40-15-19)26(44)41-21-8-10-30(32,33)11-9-21;27-18-10-17(12-37-13-18)23(24(41)38-19-5-7-26(28,29)8-6-19)40(25(42)22-9-16(11-35)14-39(22)15-36)20-1-3-21(4-2-20)43(30,31,32,33)34;26-17-10-16(13-35-14-17)22(23(39)37-18-5-7-25(27,28)8-6-18)38(24(40)21-9-15(11-34)12-36-21)19-1-3-20(4-2-19)41(29,30,31,32)33;1-11(2,3)17-10(15)13-6-8(5-12)4-9(13)16-7-14;1-10-6-2-4-7(8,9)5-3-6;7-13(8,9,10,11)6-3-1-5(12)2-4-6;7-6-1-5(4-9)2-8-3-6/h4-7,13,15-16,18,21,24-25H,8-12,17H2,1-3H3,(H,41,44);1-4,10,12-13,16,19,22-23H,5-9,14H2,(H,38,41);1-4,10,13-15,18,21-22,36H,5-9,12H2,(H,37,39);7-9H,4,6H2,1-3H3;6H,2-5H2;1-4H,12H2;1-4H/t18-,24-,25?;16-,22-,23?;15-,21-,22?;8-,9+;;;/m1111.../s1
InChIKeyDNKIAFWPFANQIA-YCEUCQOMSA-N
MW2689.49 g/mol
LogP28.99
Rot. Bonds25

About tert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline

tert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline (PubChem CID 167560044) has the molecular formula C111H117F32N21O13S4 and a molecular weight of 2689.49 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline.

Molecular Properties

Compound Nametert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline
PubChem CID167560044
Molecular FormulaC111H117F32N21O13S4
Molecular Weight2689.49 g/mol
Exact Mass2687.75
IUPAC Nametert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline
SMILESCC(C)(C)OC(=O)N1C[C@@H](C#N)C[C@@H]1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.CC(C)(C)OC(=O)N1C[C@@H](C#N)C[C@@H]1OC=O.N#C[C@@H]1CN[C@@H](C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)C1.N#C[C@H]1C[C@H](C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)N(C#N)C1.Nc1ccc(S(F)(F)(F)(F)F)cc1.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1
InChIInChI=1S/C30H33F8N5O4S.C26H24F8N6O2S.C25H25F8N5O2S.C11H16N2O4.C7H9F2N.C6H6F5NS.C6H4FNO/c1-29(2,3)47-28(46)42-17-18(14-39)12-24(42)27(45)43(22-4-6-23(7-5-22)48(34,35,36,37)38)25(19-13-20(31)16-40-15-19)26(44)41-21-8-10-30(32,33)11-9-21;27-18-10-17(12-37-13-18)23(24(41)38-19-5-7-26(28,29)8-6-19)40(25(42)22-9-16(11-35)14-39(22)15-36)20-1-3-21(4-2-20)43(30,31,32,33)34;26-17-10-16(13-35-14-17)22(23(39)37-18-5-7-25(27,28)8-6-18)38(24(40)21-9-15(11-34)12-36-21)19-1-3-20(4-2-19)41(29,30,31,32)33;1-11(2,3)17-10(15)13-6-8(5-12)4-9(13)16-7-14;1-10-6-2-4-7(8,9)5-3-6;7-13(8,9,10,11)6-3-1-5(12)2-4-6;7-6-1-5(4-9)2-8-3-6/h4-7,13,15-16,18,21,24-25H,8-12,17H2,1-3H3,(H,41,44);1-4,10,12-13,16,19,22-23H,5-9,14H2,(H,38,41);1-4,10,13-15,18,21-22,36H,5-9,12H2,(H,37,39);7-9H,4,6H2,1-3H3;6H,2-5H2;1-4H,12H2;1-4H/t18-,24-,25?;16-,22-,23?;15-,21-,22?;8-,9+;;;/m1111.../s1
InChIKeyDNKIAFWPFANQIA-YCEUCQOMSA-N
XLogP28.99
TPSA466.84 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002689.49
LogP ≤ 528.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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'}

Analyze tert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline?
The IUPAC name of tert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline (CID 167560044) is tert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline.
What is the SMILES notation for tert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline?
The canonical SMILES for tert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline is CC(C)(C)OC(=O)N1C[C@@H](C#N)C[C@@H]1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.CC(C)(C)OC(=O)N1C[C@@H](C#N)C[C@@H]1OC=O.N#C[C@@H]1CN[C@@H](C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)C1.N#C[C@H]1C[C@H](C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)N(C#N)C1.Nc1ccc(S(F)(F)(F)(F)F)cc1.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1.
What is the InChIKey of tert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline?
The InChIKey is DNKIAFWPFANQIA-YCEUCQOMSA-N. The full InChI is InChI=1S/C30H33F8N5O4S.C26H24F8N6O2S.C25H25F8N5O2S.C11H16N2O4.C7H9F2N.C6H6F5NS.C6H4FNO/c1-29(2,3)47-28(46)42-17-18(14-39)12-24(42)27(45)43(22-4-6-23(7-5-22)48(34,35,36,37)38)25(19-13-20(31)16-40-15-19)26(44)41-21-8-10-30(32,33)11-9-21;27-18-10-17(12-37-13-18)23(24(41)38-19-5-7-26(28,29)8-6-19)40(25(42)22-9-16(11-35)14-39(22)15-36)20-1-3-21(4-2-20)43(30,31,32,33)34;26-17-10-16(13-35-14-17)22(23(39)37-18-5-7-25(27,28)8-6-18)38(24(40)21-9-15(11-34)12-36-21)19-1-3-20(4-2-19)41(29,30,31,32)33;1-11(2,3)17-10(15)13-6-8(5-12)4-9(13)16-7-14;1-10-6-2-4-7(8,9)5-3-6;7-13(8,9,10,11)6-3-1-5(12)2-4-6;7-6-1-5(4-9)2-8-3-6/h4-7,13,15-16,18,21,24-25H,8-12,17H2,1-3H3,(H,41,44);1-4,10,12-13,16,19,22-23H,5-9,14H2,(H,38,41);1-4,10,13-15,18,21-22,36H,5-9,12H2,(H,37,39);7-9H,4,6H2,1-3H3;6H,2-5H2;1-4H,12H2;1-4H/t18-,24-,25?;16-,22-,23?;15-,21-,22?;8-,9+;;;/m1111.../s1.
What are the key properties of tert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline?
tert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline has a molecular weight of 2689.49 g/mol, XLogP of 28.99, 25 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-4-cyano-2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-cyano-2-formyloxypyrrolidine-1-carboxylate;(2R,4S)-4-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;(2R,4S)-1,4-dicyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;4-(pentafluoro-λ6-sulfanyl)aniline is sourced from PubChem (CID 167560044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).