tert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde

C139H147F43N22O21S5 — CID 167606012

IUPACtert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde
SMILESCC(C)(C)OC(=O)N1CC(=O)CCC1C(=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)N1CC(=O)CCC1C(=O)O.N#CN1CC(=O)CCC1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.N#CN1CC(=O)CCC1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.Nc1ccc(S(F)(F)(F)(F)F)cc1.O=C1CCC(C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)NC1.O=CC(F)(F)F.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1
InChIInChI=1S/C30H34F8N4O5S.2C26H25F8N5O3S.C25H26F8N4O3S.C11H17NO5.C7H9F2N.C6H6F5NS.C6H4FNO.C2HF3O/c1-29(2,3)47-28(46)41-17-22(43)6-9-24(41)27(45)42(21-4-7-23(8-5-21)48(34,35,36,37)38)25(18-14-19(31)16-39-15-18)26(44)40-20-10-12-30(32,33)13-11-20;2*27-17-11-16(12-36-13-17)23(24(41)37-18-7-9-26(28,29)10-8-18)39(25(42)22-6-3-20(40)14-38(22)15-35)19-1-4-21(5-2-19)43(30,31,32,33)34;26-16-11-15(12-34-13-16)22(23(39)36-17-7-9-25(27,28)10-8-17)37(24(40)21-6-3-19(38)14-35-21)18-1-4-20(5-2-18)41(29,30,31,32)33;1-11(2,3)17-10(16)12-6-7(13)4-5-8(12)9(14)15;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;3-2(4,5)1-6/h4-5,7-8,14-16,20,24-25H,6,9-13,17H2,1-3H3,(H,40,44);2*1-2,4-5,11-13,18,22-23H,3,6-10,14H2,(H,37,41);1-2,4-5,11-13,17,21-22,35H,3,6-10,14H2,(H,36,39);8H,4-6H2,1-3H3,(H,14,15);6H,2-5H2;1-4H,12H2;1-4H;1H
InChIKeyKJUUTWGFMWELCL-UHFFFAOYSA-N
MW3439.09 g/mol
LogP35.14
Rot. Bonds31

About tert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde

tert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde (PubChem CID 167606012) has the molecular formula C139H147F43N22O21S5 and a molecular weight of 3439.09 g/mol. Its IUPAC name is tert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Nametert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde
PubChem CID167606012
Molecular FormulaC139H147F43N22O21S5
Molecular Weight3439.09 g/mol
Exact Mass3436.90
IUPAC Nametert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde
SMILESCC(C)(C)OC(=O)N1CC(=O)CCC1C(=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)N1CC(=O)CCC1C(=O)O.N#CN1CC(=O)CCC1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.N#CN1CC(=O)CCC1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.Nc1ccc(S(F)(F)(F)(F)F)cc1.O=C1CCC(C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)NC1.O=CC(F)(F)F.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1
InChIInChI=1S/C30H34F8N4O5S.2C26H25F8N5O3S.C25H26F8N4O3S.C11H17NO5.C7H9F2N.C6H6F5NS.C6H4FNO.C2HF3O/c1-29(2,3)47-28(46)41-17-22(43)6-9-24(41)27(45)42(21-4-7-23(8-5-21)48(34,35,36,37)38)25(18-14-19(31)16-39-15-18)26(44)40-20-10-12-30(32,33)13-11-20;2*27-17-11-16(12-36-13-17)23(24(41)37-18-7-9-26(28,29)10-8-18)39(25(42)22-6-3-20(40)14-38(22)15-35)19-1-4-21(5-2-19)43(30,31,32,33)34;26-16-11-15(12-34-13-16)22(23(39)36-17-7-9-25(27,28)10-8-17)37(24(40)21-6-3-19(38)14-35-21)18-1-4-20(5-2-18)41(29,30,31,32)33;1-11(2,3)17-10(16)12-6-7(13)4-5-8(12)9(14)15;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;3-2(4,5)1-6/h4-5,7-8,14-16,20,24-25H,6,9-13,17H2,1-3H3,(H,40,44);2*1-2,4-5,11-13,18,22-23H,3,6-10,14H2,(H,37,41);1-2,4-5,11-13,17,21-22,35H,3,6-10,14H2,(H,36,39);8H,4-6H2,1-3H3,(H,14,15);6H,2-5H2;1-4H,12H2;1-4H;1H
InChIKeyKJUUTWGFMWELCL-UHFFFAOYSA-N
XLogP35.14
TPSA574.43 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003439.09
LogP ≤ 535.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

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'}

Analyze tert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde?
The IUPAC name of tert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde (CID 167606012) is tert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for tert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for tert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde is CC(C)(C)OC(=O)N1CC(=O)CCC1C(=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)N1CC(=O)CCC1C(=O)O.N#CN1CC(=O)CCC1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.N#CN1CC(=O)CCC1C(=O)N(c1ccc(S(F)(F)(F)(F)F)cc1)C(C(=O)NC1CCC(F)(F)CC1)c1cncc(F)c1.Nc1ccc(S(F)(F)(F)(F)F)cc1.O=C1CCC(C(=O)N(c2ccc(S(F)(F)(F)(F)F)cc2)C(C(=O)NC2CCC(F)(F)CC2)c2cncc(F)c2)NC1.O=CC(F)(F)F.O=Cc1cncc(F)c1.[C-]#[N+]C1CCC(F)(F)CC1.
What is the InChIKey of tert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde?
The InChIKey is KJUUTWGFMWELCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F8N4O5S.2C26H25F8N5O3S.C25H26F8N4O3S.C11H17NO5.C7H9F2N.C6H6F5NS.C6H4FNO.C2HF3O/c1-29(2,3)47-28(46)41-17-22(43)6-9-24(41)27(45)42(21-4-7-23(8-5-21)48(34,35,36,37)38)25(18-14-19(31)16-39-15-18)26(44)40-20-10-12-30(32,33)13-11-20;2*27-17-11-16(12-36-13-17)23(24(41)37-18-7-9-26(28,29)10-8-18)39(25(42)22-6-3-20(40)14-38(22)15-35)19-1-4-21(5-2-19)43(30,31,32,33)34;26-16-11-15(12-34-13-16)22(23(39)36-17-7-9-25(27,28)10-8-17)37(24(40)21-6-3-19(38)14-35-21)18-1-4-20(5-2-18)41(29,30,31,32)33;1-11(2,3)17-10(16)12-6-7(13)4-5-8(12)9(14)15;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;3-2(4,5)1-6/h4-5,7-8,14-16,20,24-25H,6,9-13,17H2,1-3H3,(H,40,44);2*1-2,4-5,11-13,18,22-23H,3,6-10,14H2,(H,37,41);1-2,4-5,11-13,17,21-22,35H,3,6-10,14H2,(H,36,39);8H,4-6H2,1-3H3,(H,14,15);6H,2-5H2;1-4H,12H2;1-4H;1H.
What are the key properties of tert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde?
tert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde has a molecular weight of 3439.09 g/mol, XLogP of 35.14, 31 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]carbamoyl]-5-oxopiperidine-1-carboxylate;bis(1-cyano-N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide);N-[2-[(4,4-difluorocyclohexyl)amino]-1-(5-fluoro-3-pyridinyl)-2-oxoethyl]-5-oxo-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]piperidine-2-carboxamide;1,1-difluoro-4-isocyanocyclohexane;5-fluoropyridine-3-carbaldehyde;1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperidine-2-carboxylic acid;4-(pentafluoro-λ6-sulfanyl)aniline;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 167606012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).