lithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide

C66H71Cl8CuF6LiN12O16S2V — CID 162032404

IUPAClithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide
SMILESC=CC(=O)N1CC(N2CCN(C(=O)Cc3c[nH]c4cc(Cl)c(Cl)cc34)CC2)C1.C=CC(=O)N1CC(N2CCNCC2)C1.CCOC(=O)C=[N+]=[N-].CCOC(=O)Cc1c[nH]c2cc(Cl)c(Cl)cc12.Clc1cc2cc[nH]c2cc1Cl.O=C(O)Cc1c[nH]c2cc(Cl)c(Cl)cc12.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Cu].[Li+].[OH-].[V]
InChIInChI=1S/C20H22Cl2N4O2.C12H11Cl2NO2.C10H7Cl2NO2.C10H17N3O.C8H5Cl2N.C4H6N2O2.2CHF3O3S.Cu.Li.H2O.V/c1-2-19(27)26-11-14(12-26)24-3-5-25(6-4-24)20(28)7-13-10-23-18-9-17(22)16(21)8-15(13)18;1-2-17-12(16)3-7-6-15-11-5-10(14)9(13)4-8(7)11;11-7-2-6-5(1-10(14)15)4-13-9(6)3-8(7)12;1-2-10(14)13-7-9(8-13)12-5-3-11-4-6-12;9-6-3-5-1-2-11-8(5)4-7(6)10;1-2-8-4(7)3-6-5;2*2-1(3,4)8(5,6)7;;;;/h2,8-10,14,23H,1,3-7,11-12H2;4-6,15H,2-3H2,1H3;2-4,13H,1H2,(H,14,15);2,9,11H,1,3-8H2;1-4,11H;3H,2H2,1H3;2*(H,5,6,7);;;1H2;/q;;;;;;;;;+1;;/p-1
InChIKeyCLPCTDFTDTVWMW-UHFFFAOYSA-M
MW1871.54 g/mol
LogP9.46
Rot. Bonds13

About lithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide

lithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide (PubChem CID 162032404) has the molecular formula C66H71Cl8CuF6LiN12O16S2V and a molecular weight of 1871.54 g/mol. Its IUPAC name is lithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide.

Molecular Properties

Compound Namelithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide
PubChem CID162032404
Molecular FormulaC66H71Cl8CuF6LiN12O16S2V
Molecular Weight1871.54 g/mol
Exact Mass1866.09
IUPAC Namelithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide
SMILESC=CC(=O)N1CC(N2CCN(C(=O)Cc3c[nH]c4cc(Cl)c(Cl)cc34)CC2)C1.C=CC(=O)N1CC(N2CCNCC2)C1.CCOC(=O)C=[N+]=[N-].CCOC(=O)Cc1c[nH]c2cc(Cl)c(Cl)cc12.Clc1cc2cc[nH]c2cc1Cl.O=C(O)Cc1c[nH]c2cc(Cl)c(Cl)cc12.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Cu].[Li+].[OH-].[V]
InChIInChI=1S/C20H22Cl2N4O2.C12H11Cl2NO2.C10H7Cl2NO2.C10H17N3O.C8H5Cl2N.C4H6N2O2.2CHF3O3S.Cu.Li.H2O.V/c1-2-19(27)26-11-14(12-26)24-3-5-25(6-4-24)20(28)7-13-10-23-18-9-17(22)16(21)8-15(13)18;1-2-17-12(16)3-7-6-15-11-5-10(14)9(13)4-8(7)11;11-7-2-6-5(1-10(14)15)4-13-9(6)3-8(7)12;1-2-10(14)13-7-9(8-13)12-5-3-11-4-6-12;9-6-3-5-1-2-11-8(5)4-7(6)10;1-2-8-4(7)3-6-5;2*2-1(3,4)8(5,6)7;;;;/h2,8-10,14,23H,1,3-7,11-12H2;4-6,15H,2-3H2,1H3;2-4,13H,1H2,(H,14,15);2,9,11H,1,3-8H2;1-4,11H;3H,2H2,1H3;2*(H,5,6,7);;;1H2;/q;;;;;;;;;+1;;/p-1
InChIKeyCLPCTDFTDTVWMW-UHFFFAOYSA-M
XLogP9.46
TPSA407.64 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001871.54
LogP ≤ 59.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze lithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide?
The IUPAC name of lithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide (CID 162032404) is lithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide.
What is the SMILES notation for lithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide?
The canonical SMILES for lithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide is C=CC(=O)N1CC(N2CCN(C(=O)Cc3c[nH]c4cc(Cl)c(Cl)cc34)CC2)C1.C=CC(=O)N1CC(N2CCNCC2)C1.CCOC(=O)C=[N+]=[N-].CCOC(=O)Cc1c[nH]c2cc(Cl)c(Cl)cc12.Clc1cc2cc[nH]c2cc1Cl.O=C(O)Cc1c[nH]c2cc(Cl)c(Cl)cc12.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Cu].[Li+].[OH-].[V].
What is the InChIKey of lithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide?
The InChIKey is CLPCTDFTDTVWMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22Cl2N4O2.C12H11Cl2NO2.C10H7Cl2NO2.C10H17N3O.C8H5Cl2N.C4H6N2O2.2CHF3O3S.Cu.Li.H2O.V/c1-2-19(27)26-11-14(12-26)24-3-5-25(6-4-24)20(28)7-13-10-23-18-9-17(22)16(21)8-15(13)18;1-2-17-12(16)3-7-6-15-11-5-10(14)9(13)4-8(7)11;11-7-2-6-5(1-10(14)15)4-13-9(6)3-8(7)12;1-2-10(14)13-7-9(8-13)12-5-3-11-4-6-12;9-6-3-5-1-2-11-8(5)4-7(6)10;1-2-8-4(7)3-6-5;2*2-1(3,4)8(5,6)7;;;;/h2,8-10,14,23H,1,3-7,11-12H2;4-6,15H,2-3H2,1H3;2-4,13H,1H2,(H,14,15);2,9,11H,1,3-8H2;1-4,11H;3H,2H2,1H3;2*(H,5,6,7);;;1H2;/q;;;;;;;;;+1;;/p-1.
What are the key properties of lithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide?
lithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide has a molecular weight of 1871.54 g/mol, XLogP of 9.46, 13 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;copper;5,6-dichloro-1H-indole;2-(5,6-dichloro-1H-indol-3-yl)acetic acid;1-[3-[4-[2-(5,6-dichloro-1H-indol-3-yl)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one;ethyl 2-diazoacetate;ethyl 2-(5,6-dichloro-1H-indol-3-yl)acetate;1-(3-piperazin-1-ylazetidin-1-yl)prop-2-en-1-one;bis(trifluoromethanesulfonic acid);vanadium;hydroxide is sourced from PubChem (CID 162032404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).