lithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide

C168H197BrLiN30O25Sn- — CID 158575634

IUPAClithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide
SMILESC=CC[Sn](CCCC)(CCCC)CCCC.C=CCc1ccc(OC)cc1C(=O)N(C(=O)OC(C)(C)C)c1cccc(-c2nncn2CC=C)n1.C=CCc1ccc(OC)cc1C(=O)Nc1cccc(-c2nncn2CC=C)n1.C=CCc1ccc(OC)cc1C(=O)O.C=CCc1ccc(OC)cc1C(=O)OC.C=CCn1cnnc1-c1cccc(N)n1.CC.COC(=O)c1cc(OC)ccc1Br.COc1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)c1cccc(n1)-c1nncn1C/C=C/C2.COc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1C/C=C/C2.COc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCC2.[Li+].[OH-].[OH-]
InChIInChI=1S/C26H29N5O4.C24H25N5O4.C21H21N5O2.C19H19N5O2.C19H17N5O2.C12H14O3.C11H12O3.C10H11N5.C9H9BrO3.3C4H9.C3H5.C2H6.Li.2H2O.Sn/c1-7-10-18-13-14-19(34-6)16-20(18)24(32)31(25(33)35-26(3,4)5)22-12-9-11-21(28-22)23-29-27-17-30(23)15-8-2;1-24(2,3)33-23(31)29-20-10-7-9-19(26-20)21-27-25-15-28(21)13-6-5-8-16-11-12-17(32-4)14-18(16)22(29)30;1-4-7-15-10-11-16(28-3)13-17(15)21(27)24-19-9-6-8-18(23-19)20-25-22-14-26(20)12-5-2;2*1-26-14-9-8-13-5-2-3-10-24-12-20-23-18(24)16-6-4-7-17(21-16)22-19(25)15(13)11-14;1-4-5-9-6-7-10(14-2)8-11(9)12(13)15-3;1-3-4-8-5-6-9(14-2)7-10(8)11(12)13;1-2-6-15-7-12-14-10(15)8-4-3-5-9(11)13-8;1-12-6-3-4-8(10)7(5-6)9(11)13-2;3*1-3-4-2;1-3-2;1-2;;;;/h7-9,11-14,16-17H,1-2,10,15H2,3-6H3;5-7,9-12,14-15H,8,13H2,1-4H3;4-6,8-11,13-14H,1-2,7,12H2,3H3,(H,23,24,27);4,6-9,11-12H,2-3,5,10H2,1H3,(H,21,22,25);2-4,6-9,11-12H,5,10H2,1H3,(H,21,22,25);4,6-8H,1,5H2,2-3H3;3,5-7H,1,4H2,2H3,(H,12,13);2-5,7H,1,6H2,(H2,11,13);3-5H,1-2H3;3*1,3-4H2,2H3;3H,1-2H2;1-2H3;;2*1H2;/q;;;;;;;;;;;;;;+1;;;/p-2/b;6-5+;;;3-2+;;;;;;;;;;;;;
InChIKeyLJOBIVQYWHXUKV-DKCLWIJOSA-L
MW3242.16 g/mol
LogP29.44
Rot. Bonds43

About lithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide

lithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide (PubChem CID 158575634) has the molecular formula C168H197BrLiN30O25Sn- and a molecular weight of 3242.16 g/mol. Its IUPAC name is lithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide.

Molecular Properties

Compound Namelithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide
PubChem CID158575634
Molecular FormulaC168H197BrLiN30O25Sn-
Molecular Weight3242.16 g/mol
Exact Mass3240.34
IUPAC Namelithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide
SMILESC=CC[Sn](CCCC)(CCCC)CCCC.C=CCc1ccc(OC)cc1C(=O)N(C(=O)OC(C)(C)C)c1cccc(-c2nncn2CC=C)n1.C=CCc1ccc(OC)cc1C(=O)Nc1cccc(-c2nncn2CC=C)n1.C=CCc1ccc(OC)cc1C(=O)O.C=CCc1ccc(OC)cc1C(=O)OC.C=CCn1cnnc1-c1cccc(N)n1.CC.COC(=O)c1cc(OC)ccc1Br.COc1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)c1cccc(n1)-c1nncn1C/C=C/C2.COc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1C/C=C/C2.COc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCC2.[Li+].[OH-].[OH-]
InChIInChI=1S/C26H29N5O4.C24H25N5O4.C21H21N5O2.C19H19N5O2.C19H17N5O2.C12H14O3.C11H12O3.C10H11N5.C9H9BrO3.3C4H9.C3H5.C2H6.Li.2H2O.Sn/c1-7-10-18-13-14-19(34-6)16-20(18)24(32)31(25(33)35-26(3,4)5)22-12-9-11-21(28-22)23-29-27-17-30(23)15-8-2;1-24(2,3)33-23(31)29-20-10-7-9-19(26-20)21-27-25-15-28(21)13-6-5-8-16-11-12-17(32-4)14-18(16)22(29)30;1-4-7-15-10-11-16(28-3)13-17(15)21(27)24-19-9-6-8-18(23-19)20-25-22-14-26(20)12-5-2;2*1-26-14-9-8-13-5-2-3-10-24-12-20-23-18(24)16-6-4-7-17(21-16)22-19(25)15(13)11-14;1-4-5-9-6-7-10(14-2)8-11(9)12(13)15-3;1-3-4-8-5-6-9(14-2)7-10(8)11(12)13;1-2-6-15-7-12-14-10(15)8-4-3-5-9(11)13-8;1-12-6-3-4-8(10)7(5-6)9(11)13-2;3*1-3-4-2;1-3-2;1-2;;;;/h7-9,11-14,16-17H,1-2,10,15H2,3-6H3;5-7,9-12,14-15H,8,13H2,1-4H3;4-6,8-11,13-14H,1-2,7,12H2,3H3,(H,23,24,27);4,6-9,11-12H,2-3,5,10H2,1H3,(H,21,22,25);2-4,6-9,11-12H,5,10H2,1H3,(H,21,22,25);4,6-8H,1,5H2,2-3H3;3,5-7H,1,4H2,2H3,(H,12,13);2-5,7H,1,6H2,(H2,11,13);3-5H,1-2H3;3*1,3-4H2,2H3;3H,1-2H2;1-2H3;;2*1H2;/q;;;;;;;;;;;;;;+1;;;/p-2/b;6-5+;;;3-2+;;;;;;;;;;;;;
InChIKeyLJOBIVQYWHXUKV-DKCLWIJOSA-L
XLogP29.44
TPSA691.88 Ų
H-Bond Donors5
H-Bond Acceptors49
Rotatable Bonds43
Heavy Atoms226
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003242.16
LogP ≤ 529.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze lithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide?
The IUPAC name of lithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide (CID 158575634) is lithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide.
What is the SMILES notation for lithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide?
The canonical SMILES for lithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide is C=CC[Sn](CCCC)(CCCC)CCCC.C=CCc1ccc(OC)cc1C(=O)N(C(=O)OC(C)(C)C)c1cccc(-c2nncn2CC=C)n1.C=CCc1ccc(OC)cc1C(=O)Nc1cccc(-c2nncn2CC=C)n1.C=CCc1ccc(OC)cc1C(=O)O.C=CCc1ccc(OC)cc1C(=O)OC.C=CCn1cnnc1-c1cccc(N)n1.CC.COC(=O)c1cc(OC)ccc1Br.COc1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)c1cccc(n1)-c1nncn1C/C=C/C2.COc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1C/C=C/C2.COc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCC2.[Li+].[OH-].[OH-].
What is the InChIKey of lithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide?
The InChIKey is LJOBIVQYWHXUKV-DKCLWIJOSA-L. The full InChI is InChI=1S/C26H29N5O4.C24H25N5O4.C21H21N5O2.C19H19N5O2.C19H17N5O2.C12H14O3.C11H12O3.C10H11N5.C9H9BrO3.3C4H9.C3H5.C2H6.Li.2H2O.Sn/c1-7-10-18-13-14-19(34-6)16-20(18)24(32)31(25(33)35-26(3,4)5)22-12-9-11-21(28-22)23-29-27-17-30(23)15-8-2;1-24(2,3)33-23(31)29-20-10-7-9-19(26-20)21-27-25-15-28(21)13-6-5-8-16-11-12-17(32-4)14-18(16)22(29)30;1-4-7-15-10-11-16(28-3)13-17(15)21(27)24-19-9-6-8-18(23-19)20-25-22-14-26(20)12-5-2;2*1-26-14-9-8-13-5-2-3-10-24-12-20-23-18(24)16-6-4-7-17(21-16)22-19(25)15(13)11-14;1-4-5-9-6-7-10(14-2)8-11(9)12(13)15-3;1-3-4-8-5-6-9(14-2)7-10(8)11(12)13;1-2-6-15-7-12-14-10(15)8-4-3-5-9(11)13-8;1-12-6-3-4-8(10)7(5-6)9(11)13-2;3*1-3-4-2;1-3-2;1-2;;;;/h7-9,11-14,16-17H,1-2,10,15H2,3-6H3;5-7,9-12,14-15H,8,13H2,1-4H3;4-6,8-11,13-14H,1-2,7,12H2,3H3,(H,23,24,27);4,6-9,11-12H,2-3,5,10H2,1H3,(H,21,22,25);2-4,6-9,11-12H,5,10H2,1H3,(H,21,22,25);4,6-8H,1,5H2,2-3H3;3,5-7H,1,4H2,2H3,(H,12,13);2-5,7H,1,6H2,(H2,11,13);3-5H,1-2H3;3*1,3-4H2,2H3;3H,1-2H2;1-2H3;;2*1H2;/q;;;;;;;;;;;;;;+1;;;/p-2/b;6-5+;;;3-2+;;;;;;;;;;;;;.
What are the key properties of lithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide?
lithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide has a molecular weight of 3242.16 g/mol, XLogP of 29.44, 43 rotatable bonds, 5 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;tert-butyl (8E)-14-methoxy-17-oxo-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaene-18-carboxylate;tert-butyl N-(5-methoxy-2-prop-2-enylbenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;ethane;(8E)-14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,8,11(16),12,14,19,21-nonaen-17-one;14-methoxy-3,4,6,18,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,4,11(16),12,14,19,21-octaen-17-one;5-methoxy-2-prop-2-enylbenzoic acid;5-methoxy-2-prop-2-enyl-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;tributyl(prop-2-enyl)stannane;dihydroxide is sourced from PubChem (CID 158575634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).