lithium;6-(4-but-3-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-2-prop-2-enylbenzamide;tert-butyl N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(5-methoxy-2-prop-2-enylbenzoyl)carbamate;tert-butyl (9E)-15-methoxy-18-oxo-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaene-19-carboxylate;(9E)-15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaen-18-one;5-methoxy-2-prop-2-enylbenzoic acid;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;tributyl(prop-2-enyl)stannane;hydroxide;hydrate

C152H183BrLiN25O23Sn — CID 158025800

About lithium;6-(4-but-3-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-2-prop-2-enylbenzamide;tert-butyl N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(5-methoxy-2-prop-2-enylbenzoyl)carbamate;tert-butyl (9E)-15-methoxy-18-oxo-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaene-19-carboxylate;(9E)-15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaen-18-one;5-methoxy-2-prop-2-enylbenzoic acid;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;tributyl(prop-2-enyl)stannane;hydroxide;hydrate

lithium;6-(4-but-3-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-2-prop-2-enylbenzamide;tert-butyl N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(5-methoxy-2-prop-2-enylbenzoyl)carbamate;tert-butyl (9E)-15-methoxy-18-oxo-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaene-19-carboxylate;(9E)-15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaen-18-one;5-methoxy-2-prop-2-enylbenzoic acid;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;tributyl(prop-2-enyl)stannane;hydroxide;hydrate (PubChem CID 158025800) has the molecular formula C152H183BrLiN25O23Sn and a molecular weight of 2933.84 g/mol. Its IUPAC name is lithium;6-(4-but-3-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-2-prop-2-enylbenzamide;tert-butyl N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(5-methoxy-2-prop-2-enylbenzoyl)carbamate;tert-butyl (9E)-15-methoxy-18-oxo-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaene-19-carboxylate;(9E)-15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaen-18-one;5-methoxy-2-prop-2-enylbenzoic acid;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;tributyl(prop-2-enyl)stannane;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;6-(4-but-3-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-2-prop-2-enylbenzamide;tert-butyl N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(5-methoxy-2-prop-2-enylbenzoyl)carbamate;tert-butyl (9E)-15-methoxy-18-oxo-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaene-19-carboxylate;(9E)-15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaen-18-one;5-methoxy-2-prop-2-enylbenzoic acid;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;tributyl(prop-2-enyl)stannane;hydroxide;hydrate
• PubChem CID: 158025800
• Molecular Formula: C152H183BrLiN25O23Sn
• Molecular Weight: 2933.84 g/mol
• Exact Mass: 2932.23
• IUPAC Name: lithium;6-(4-but-3-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-2-prop-2-enylbenzamide;tert-butyl N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(5-methoxy-2-prop-2-enylbenzoyl)carbamate;tert-butyl (9E)-15-methoxy-18-oxo-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaene-19-carboxylate;(9E)-15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaen-18-one;5-methoxy-2-prop-2-enylbenzoic acid;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;tributyl(prop-2-enyl)stannane;hydroxide;hydrate
• SMILES: C=CCCn1cnnc1-c1cccc(N(C(=O)OC(C)(C)C)C(=O)c2cc(OC)ccc2CC=C)n1.C=CCCn1cnnc1-c1cccc(N)n1.C=CCCn1cnnc1-c1cccc(NC(=O)c2cc(OC)ccc2CC=C)n1.C=CC[Sn](CCCC)(CCCC)CCCC.C=CCc1ccc(OC)cc1C(=O)O.C=CCc1ccc(OC)cc1C(=O)OC.COC(=O)c1cc(OC)ccc1Br.COc1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)c1cccc(n1)-c1nncn1CC/C=C/C2.COc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CC/C=C/C2.O.[Li+].[OH-]
• InChI: InChI=1S/C27H31N5O4.C25H27N5O4.C22H23N5O2.C20H19N5O2.C12H14O3.C11H13N5.C11H12O3.C9H9BrO3.3C4H9.C3H5.Li.2H2O.Sn/c1-7-9-16-31-18-28-30-24(31)22-12-10-13-23(29-22)32(26(34)36-27(3,4)5)25(33)21-17-20(35-6)15-14-19(21)11-8-2;1-25(2,3)34-24(32)30-21-11-8-10-20(27-21)22-28-26-16-29(22)14-7-5-6-9-17-12-13-18(33-4)15-19(17)23(30)31;1-4-6-13-27-15-23-26-21(27)19-9-7-10-20(24-19)25-22(28)18-14-17(29-3)12-11-16(18)8-5-2;1-27-15-10-9-14-6-3-2-4-11-25-13-21-24-19(25)17-7-5-8-18(22-17)23-20(26)16(14)12-15;1-4-5-9-6-7-10(14-2)8-11(9)12(13)15-3;1-2-3-7-16-8-13-15-11(16)9-5-4-6-10(12)14-9;1-3-4-8-5-6-9(14-2)7-10(8)11(12)13;1-12-6-3-4-8(10)7(5-6)9(11)13-2;3*1-3-4-2;1-3-2;;;;/h7-8,10,12-15,17-18H,1-2,9,11,16H2,3-6H3;5-6,8,10-13,15-16H,7,9,14H2,1-4H3;4-5,7,9-12,14-15H,1-2,6,8,13H2,3H3,(H,24,25,28);2-3,5,7-10,12-13H,4,6,11H2,1H3,(H,22,23,26);4,6-8H,1,5H2,2-3H3;2,4-6,8H,1,3,7H2,(H2,12,14);3,5-7H,1,4H2,2H3,(H,12,13);3-5H,1-2H3;3*1,3-4H2,2H3;3H,1-2H2;;2*1H2;/q;;;;;;;;;;;;+1;;;/p-1/b;6-5+;;3-2+
• InChIKey: VMBCIEARPOHTDM-OCGZIIBGSA-M
• XLogP: 26.78
• TPSA: 611.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 45
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2933.84
LogP ≤ 5	26.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;6-(4-but-3-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-2-prop-2-enylbenzamide;tert-butyl N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(5-methoxy-2-prop-2-enylbenzoyl)carbamate;tert-butyl (9E)-15-methoxy-18-oxo-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaene-19-carboxylate;(9E)-15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaen-18-one;5-methoxy-2-prop-2-enylbenzoic acid;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;tributyl(prop-2-enyl)stannane;hydroxide;hydrate?

The IUPAC name of lithium;6-(4-but-3-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-2-prop-2-enylbenzamide;tert-butyl N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(5-methoxy-2-prop-2-enylbenzoyl)carbamate;tert-butyl (9E)-15-methoxy-18-oxo-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaene-19-carboxylate;(9E)-15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaen-18-one;5-methoxy-2-prop-2-enylbenzoic acid;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;tributyl(prop-2-enyl)stannane;hydroxide;hydrate (CID 158025800) is lithium;6-(4-but-3-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-2-prop-2-enylbenzamide;tert-butyl N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(5-methoxy-2-prop-2-enylbenzoyl)carbamate;tert-butyl (9E)-15-methoxy-18-oxo-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaene-19-carboxylate;(9E)-15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaen-18-one;5-methoxy-2-prop-2-enylbenzoic acid;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;tributyl(prop-2-enyl)stannane;hydroxide;hydrate.

What is the SMILES notation for lithium;6-(4-but-3-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-2-prop-2-enylbenzamide;tert-butyl N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(5-methoxy-2-prop-2-enylbenzoyl)carbamate;tert-butyl (9E)-15-methoxy-18-oxo-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaene-19-carboxylate;(9E)-15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaen-18-one;5-methoxy-2-prop-2-enylbenzoic acid;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;tributyl(prop-2-enyl)stannane;hydroxide;hydrate?

The canonical SMILES for lithium;6-(4-but-3-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-2-prop-2-enylbenzamide;tert-butyl N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(5-methoxy-2-prop-2-enylbenzoyl)carbamate;tert-butyl (9E)-15-methoxy-18-oxo-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaene-19-carboxylate;(9E)-15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaen-18-one;5-methoxy-2-prop-2-enylbenzoic acid;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;tributyl(prop-2-enyl)stannane;hydroxide;hydrate is C=CCCn1cnnc1-c1cccc(N(C(=O)OC(C)(C)C)C(=O)c2cc(OC)ccc2CC=C)n1.C=CCCn1cnnc1-c1cccc(N)n1.C=CCCn1cnnc1-c1cccc(NC(=O)c2cc(OC)ccc2CC=C)n1.C=CC[Sn](CCCC)(CCCC)CCCC.C=CCc1ccc(OC)cc1C(=O)O.C=CCc1ccc(OC)cc1C(=O)OC.COC(=O)c1cc(OC)ccc1Br.COc1ccc2c(c1)C(=O)N(C(=O)OC(C)(C)C)c1cccc(n1)-c1nncn1CC/C=C/C2.COc1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CC/C=C/C2.O.[Li+].[OH-].

What is the InChIKey of lithium;6-(4-but-3-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-2-prop-2-enylbenzamide;tert-butyl N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(5-methoxy-2-prop-2-enylbenzoyl)carbamate;tert-butyl (9E)-15-methoxy-18-oxo-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaene-19-carboxylate;(9E)-15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaen-18-one;5-methoxy-2-prop-2-enylbenzoic acid;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;tributyl(prop-2-enyl)stannane;hydroxide;hydrate?

The InChIKey is VMBCIEARPOHTDM-OCGZIIBGSA-M. The full InChI is InChI=1S/C27H31N5O4.C25H27N5O4.C22H23N5O2.C20H19N5O2.C12H14O3.C11H13N5.C11H12O3.C9H9BrO3.3C4H9.C3H5.Li.2H2O.Sn/c1-7-9-16-31-18-28-30-24(31)22-12-10-13-23(29-22)32(26(34)36-27(3,4)5)25(33)21-17-20(35-6)15-14-19(21)11-8-2;1-25(2,3)34-24(32)30-21-11-8-10-20(27-21)22-28-26-16-29(22)14-7-5-6-9-17-12-13-18(33-4)15-19(17)23(30)31;1-4-6-13-27-15-23-26-21(27)19-9-7-10-20(24-19)25-22(28)18-14-17(29-3)12-11-16(18)8-5-2;1-27-15-10-9-14-6-3-2-4-11-25-13-21-24-19(25)17-7-5-8-18(22-17)23-20(26)16(14)12-15;1-4-5-9-6-7-10(14-2)8-11(9)12(13)15-3;1-2-3-7-16-8-13-15-11(16)9-5-4-6-10(12)14-9;1-3-4-8-5-6-9(14-2)7-10(8)11(12)13;1-12-6-3-4-8(10)7(5-6)9(11)13-2;3*1-3-4-2;1-3-2;;;;/h7-8,10,12-15,17-18H,1-2,9,11,16H2,3-6H3;5-6,8,10-13,15-16H,7,9,14H2,1-4H3;4-5,7,9-12,14-15H,1-2,6,8,13H2,3H3,(H,24,25,28);2-3,5,7-10,12-13H,4,6,11H2,1H3,(H,22,23,26);4,6-8H,1,5H2,2-3H3;2,4-6,8H,1,3,7H2,(H2,12,14);3,5-7H,1,4H2,2H3,(H,12,13);3-5H,1-2H3;3*1,3-4H2,2H3;3H,1-2H2;;2*1H2;/q;;;;;;;;;;;;+1;;;/p-1/b;6-5+;;3-2+;;;;;;;;;;;;.

What are the key properties of lithium;6-(4-but-3-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-2-prop-2-enylbenzamide;tert-butyl N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(5-methoxy-2-prop-2-enylbenzoyl)carbamate;tert-butyl (9E)-15-methoxy-18-oxo-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaene-19-carboxylate;(9E)-15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaen-18-one;5-methoxy-2-prop-2-enylbenzoic acid;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;tributyl(prop-2-enyl)stannane;hydroxide;hydrate?

lithium;6-(4-but-3-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-2-prop-2-enylbenzamide;tert-butyl N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(5-methoxy-2-prop-2-enylbenzoyl)carbamate;tert-butyl (9E)-15-methoxy-18-oxo-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaene-19-carboxylate;(9E)-15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaen-18-one;5-methoxy-2-prop-2-enylbenzoic acid;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;tributyl(prop-2-enyl)stannane;hydroxide;hydrate has a molecular weight of 2933.84 g/mol, XLogP of 26.78, 45 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;6-(4-but-3-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-methoxy-2-prop-2-enylbenzamide;tert-butyl N-[6-(4-but-3-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]-N-(5-methoxy-2-prop-2-enylbenzoyl)carbamate;tert-butyl (9E)-15-methoxy-18-oxo-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaene-19-carboxylate;(9E)-15-methoxy-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,9,12(17),13,15,20,22-nonaen-18-one;5-methoxy-2-prop-2-enylbenzoic acid;methyl 2-bromo-5-methoxybenzoate;methyl 5-methoxy-2-prop-2-enylbenzoate;tributyl(prop-2-enyl)stannane;hydroxide;hydrate is sourced from PubChem (CID 158025800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).