dilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate

C223H266CuF6Li2N36Na2O50S6 — CID 161079429

IUPACdilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate
SMILESC.CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(-n3cc4cccc(C(=O)[O-])c4n3)cc2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1.CCS(=O)(=O)O.COC(=O)c1cccc(/C=N/c2ccc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1N=[N+]=[N-].COC(=O)c1cccc(C=O)c1N=[N+]=[N-].COC(=O)c1cccc(C=O)c1[N+](=O)[O-].COC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)cc3)nc12.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.Nc1ccc(C2CCCCC2)cc1.Nc1ccc(C2CCCCC2)cc1.O.O.O.O.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Cu].[Li+].[Li+].[N-]=[N+]=[N-].[Na+].[Na+].[OH-].[OH-]
InChIInChI=1S/C25H29N5O4.C25H29N3O4.C24H28N4O3.C24H27N3O4.3C19H20N4O.2C12H17N.C9H7N3O3.C9H7NO5.3C7H8O3S.C2H6O3S.2CHF3O3S.CH4.Cu.2Li.N3.2Na.6H2O/c1-25(2,3)34-24(32)30-14-6-8-19(16-30)17-10-12-20(13-11-17)27-15-18-7-5-9-21(23(31)33-4)22(18)28-29-26;1-25(2,3)32-24(30)27-14-6-8-18(15-27)17-10-12-20(13-11-17)28-16-19-7-5-9-21(22(19)26-28)23(29)31-4;1-24(2,3)31-23(30)27-13-5-7-17(14-27)16-9-11-19(12-10-16)28-15-18-6-4-8-20(22(25)29)21(18)26-28;1-24(2,3)31-23(30)26-13-5-7-17(14-26)16-9-11-19(12-10-16)27-15-18-6-4-8-20(22(28)29)21(18)25-27;3*20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;2*13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-15-9(14)7-4-2-3-6(5-13)8(7)11-12-10;1-15-9(12)7-4-2-3-6(5-11)8(7)10(13)14;3*1-6-2-4-7(5-3-6)11(8,9)10;1-2-6(3,4)5;2*2-1(3,4)8(5,6)7;;;;;1-3-2;;;;;;;;/h5,7,9-13,15,19H,6,8,14,16H2,1-4H3;5,7,9-13,16,18H,6,8,14-15H2,1-4H3;4,6,8-12,15,17H,5,7,13-14H2,1-3H3,(H2,25,29);4,6,8-12,15,17H,5,7,13-14H2,1-3H3,(H,28,29);3*1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);2*6-10H,1-5,13H2;2*2-5H,1H3;3*2-5H,1H3,(H,8,9,10);2H2,1H3,(H,3,4,5);2*(H,5,6,7);1H4;;;;;;;6*1H2/q;;;;;;;;;;;;;;;;;;;2*+1;-1;2*+1;;;;;;/p-3/b27-15+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t19-;18-;2*17-;3*14-;;;;;;;;;;;;;;;;;;;;;;;/m1111111......................./s1
InChIKeyBESNDMNGONCBQU-PBFOTWIHSA-K
MW4680.58 g/mol
LogP27.05
Rot. Bonds35

About dilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate

dilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate (PubChem CID 161079429) has the molecular formula C223H266CuF6Li2N36Na2O50S6 and a molecular weight of 4680.58 g/mol. Its IUPAC name is dilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate.

Molecular Properties

Compound Namedilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate
PubChem CID161079429
Molecular FormulaC223H266CuF6Li2N36Na2O50S6
Molecular Weight4680.58 g/mol
Exact Mass4676.70
IUPAC Namedilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate
SMILESC.CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(-n3cc4cccc(C(=O)[O-])c4n3)cc2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1.CCS(=O)(=O)O.COC(=O)c1cccc(/C=N/c2ccc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1N=[N+]=[N-].COC(=O)c1cccc(C=O)c1N=[N+]=[N-].COC(=O)c1cccc(C=O)c1[N+](=O)[O-].COC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)cc3)nc12.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.Nc1ccc(C2CCCCC2)cc1.Nc1ccc(C2CCCCC2)cc1.O.O.O.O.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Cu].[Li+].[Li+].[N-]=[N+]=[N-].[Na+].[Na+].[OH-].[OH-]
InChIInChI=1S/C25H29N5O4.C25H29N3O4.C24H28N4O3.C24H27N3O4.3C19H20N4O.2C12H17N.C9H7N3O3.C9H7NO5.3C7H8O3S.C2H6O3S.2CHF3O3S.CH4.Cu.2Li.N3.2Na.6H2O/c1-25(2,3)34-24(32)30-14-6-8-19(16-30)17-10-12-20(13-11-17)27-15-18-7-5-9-21(23(31)33-4)22(18)28-29-26;1-25(2,3)32-24(30)27-14-6-8-18(15-27)17-10-12-20(13-11-17)28-16-19-7-5-9-21(22(19)26-28)23(29)31-4;1-24(2,3)31-23(30)27-13-5-7-17(14-27)16-9-11-19(12-10-16)28-15-18-6-4-8-20(22(25)29)21(18)26-28;1-24(2,3)31-23(30)26-13-5-7-17(14-26)16-9-11-19(12-10-16)27-15-18-6-4-8-20(22(28)29)21(18)25-27;3*20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;2*13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-15-9(14)7-4-2-3-6(5-13)8(7)11-12-10;1-15-9(12)7-4-2-3-6(5-11)8(7)10(13)14;3*1-6-2-4-7(5-3-6)11(8,9)10;1-2-6(3,4)5;2*2-1(3,4)8(5,6)7;;;;;1-3-2;;;;;;;;/h5,7,9-13,15,19H,6,8,14,16H2,1-4H3;5,7,9-13,16,18H,6,8,14-15H2,1-4H3;4,6,8-12,15,17H,5,7,13-14H2,1-3H3,(H2,25,29);4,6,8-12,15,17H,5,7,13-14H2,1-3H3,(H,28,29);3*1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);2*6-10H,1-5,13H2;2*2-5H,1H3;3*2-5H,1H3,(H,8,9,10);2H2,1H3,(H,3,4,5);2*(H,5,6,7);1H4;;;;;;;6*1H2/q;;;;;;;;;;;;;;;;;;;2*+1;-1;2*+1;;;;;;/p-3/b27-15+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t19-;18-;2*17-;3*14-;;;;;;;;;;;;;;;;;;;;;;;/m1111111......................./s1
InChIKeyBESNDMNGONCBQU-PBFOTWIHSA-K
XLogP27.05
TPSA1388.98 Ų
H-Bond Donors15
H-Bond Acceptors60
Rotatable Bonds35
Heavy Atoms326
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004680.58
LogP ≤ 527.05
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1060

Analyze dilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate with MolForge

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Related Compounds

tert-butyl 3-[4-[(3-carbamoyl-2-nitrophenyl)methylideneamino]phenyl]piperidine-1-carboxylate
CID 146663306
tert-butyl (3S)-3-[4-[(3-carbamoyl-2-nitrophenyl)methylideneamino]phenyl]piperidine-1-carboxylate;3-ethenyl-2-nitrobenzamide
CID 159954542
tert-butyl (3R)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate
CID 163488328
ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 176571066
methyl 2-(4-piperidin-4-ylphenyl)indazole-7-carboxylate
CID 44550352
tert-butyl 3-[4-[(3-carbamoyl-2-nitrophenyl)methylamino]phenyl]piperidine-1-carboxylate
CID 175563817
tert-butyl (3S)-3-[4-[(3-carbamoyl-2-nitrophenyl)methylamino]phenyl]piperidine-1-carboxylate
CID 171776278
2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588348
2-[4-(2,2-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588339
2-[4-(1-icosa-5,8,11,14,17-pentaenoylpiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 123137800
methyl 3-formyl-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]-1H-indole-4-carboxylate
CID 155033966
5-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 24958203

Frequently Asked Questions

What is the IUPAC name of dilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate?
The IUPAC name of dilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate (CID 161079429) is dilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate.
What is the SMILES notation for dilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate?
The canonical SMILES for dilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate is C.CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(-n3cc4cccc(C(=O)[O-])c4n3)cc2)C1.CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1.CCS(=O)(=O)O.COC(=O)c1cccc(/C=N/c2ccc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1N=[N+]=[N-].COC(=O)c1cccc(C=O)c1N=[N+]=[N-].COC(=O)c1cccc(C=O)c1[N+](=O)[O-].COC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)cc3)nc12.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.Nc1ccc(C2CCCCC2)cc1.Nc1ccc(C2CCCCC2)cc1.O.O.O.O.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Cu].[Li+].[Li+].[N-]=[N+]=[N-].[Na+].[Na+].[OH-].[OH-].
What is the InChIKey of dilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate?
The InChIKey is BESNDMNGONCBQU-PBFOTWIHSA-K. The full InChI is InChI=1S/C25H29N5O4.C25H29N3O4.C24H28N4O3.C24H27N3O4.3C19H20N4O.2C12H17N.C9H7N3O3.C9H7NO5.3C7H8O3S.C2H6O3S.2CHF3O3S.CH4.Cu.2Li.N3.2Na.6H2O/c1-25(2,3)34-24(32)30-14-6-8-19(16-30)17-10-12-20(13-11-17)27-15-18-7-5-9-21(23(31)33-4)22(18)28-29-26;1-25(2,3)32-24(30)27-14-6-8-18(15-27)17-10-12-20(13-11-17)28-16-19-7-5-9-21(22(19)26-28)23(29)31-4;1-24(2,3)31-23(30)27-13-5-7-17(14-27)16-9-11-19(12-10-16)28-15-18-6-4-8-20(22(25)29)21(18)26-28;1-24(2,3)31-23(30)26-13-5-7-17(14-26)16-9-11-19(12-10-16)27-15-18-6-4-8-20(22(28)29)21(18)25-27;3*20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;2*13-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-15-9(14)7-4-2-3-6(5-13)8(7)11-12-10;1-15-9(12)7-4-2-3-6(5-11)8(7)10(13)14;3*1-6-2-4-7(5-3-6)11(8,9)10;1-2-6(3,4)5;2*2-1(3,4)8(5,6)7;;;;;1-3-2;;;;;;;;/h5,7,9-13,15,19H,6,8,14,16H2,1-4H3;5,7,9-13,16,18H,6,8,14-15H2,1-4H3;4,6,8-12,15,17H,5,7,13-14H2,1-3H3,(H2,25,29);4,6,8-12,15,17H,5,7,13-14H2,1-3H3,(H,28,29);3*1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);2*6-10H,1-5,13H2;2*2-5H,1H3;3*2-5H,1H3,(H,8,9,10);2H2,1H3,(H,3,4,5);2*(H,5,6,7);1H4;;;;;;;6*1H2/q;;;;;;;;;;;;;;;;;;;2*+1;-1;2*+1;;;;;;/p-3/b27-15+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/t19-;18-;2*17-;3*14-;;;;;;;;;;;;;;;;;;;;;;;/m1111111......................./s1.
What are the key properties of dilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate?
dilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate has a molecular weight of 4680.58 g/mol, XLogP of 27.05, 35 rotatable bonds, 15 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;disodium;tert-butyl (3S)-3-[4-[(2-azido-3-methoxycarbonylphenyl)methylideneamino]phenyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate;copper;bis(4-cyclohexylaniline);ethanesulfonic acid;methane;methyl 2-azido-3-formylbenzoate;tris(4-methylbenzenesulfonic acid);methyl 3-formyl-2-nitrobenzoate;methyl 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylate;tris(2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide);bis(trifluoromethanesulfonic acid);azide;dihydroxide;tetrahydrate is sourced from PubChem (CID 161079429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).