lithium;sodium;bromozinc(1+);2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide;2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide

C102H105BrF6I3LiN31NaO13Zn — CID 161094899

About lithium;sodium;bromozinc(1+);2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide;2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide

lithium;sodium;bromozinc(1+);2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide;2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide (PubChem CID 161094899) has the molecular formula C102H105BrF6I3LiN31NaO13Zn and a molecular weight of 2643.09 g/mol. Its IUPAC name is lithium;sodium;bromozinc(1+);2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide;2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide.

Molecular Properties

• Compound Name: lithium;sodium;bromozinc(1+);2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide;2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide
• PubChem CID: 161094899
• Molecular Formula: C102H105BrF6I3LiN31NaO13Zn
• Molecular Weight: 2643.09 g/mol
• Exact Mass: 2639.41
• IUPAC Name: lithium;sodium;bromozinc(1+);2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide;2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide
• SMILES: COC(=O)c1cc(-n2nnnc2C(C)C)cc(-c2ccc(C)cn2)c1F.COC(=O)c1cc(-n2nnnc2C(C)C)cc(I)c1F.COC(=O)c1cc(N)cc(I)c1F.COC(=O)c1cc(NC(=O)C(C)C)cc(I)c1F.Cc1cc[c-]nc1.Cc1ccc(-c2cc(-n3nnnc3C(C)C)cc(C(=O)NCc3cnc(C)cn3)c2F)nc1.Cc1ccc(-c2cc(-n3nnnc3C(C)C)cc(C(=O)O)c2F)nc1.Cc1cnc(CN)cn1.[Li+].[N-]=[N+]=[N-].[Na+].[OH-].[Zn+]Br
• InChI: InChI=1S/C23H23FN8O.C18H18FN5O2.C17H16FN5O2.C12H12FIN4O2.C12H13FINO3.C8H7FINO2.C6H9N3.C6H6N.BrH.Li.N3.Na.H2O.Zn/c1-13(2)22-29-30-31-32(22)17-7-18(20-6-5-14(3)9-27-20)21(24)19(8-17)23(33)28-12-16-11-25-15(4)10-26-16;1-10(2)17-21-22-23-24(17)12-7-13(15-6-5-11(3)9-20-15)16(19)14(8-12)18(25)26-4;1-9(2)16-20-21-22-23(16)11-6-12(14-5-4-10(3)8-19-14)15(18)13(7-11)17(24)25;1-6(2)11-15-16-17-18(11)7-4-8(12(19)20-3)10(13)9(14)5-7;1-6(2)11(16)15-7-4-8(12(17)18-3)10(13)9(14)5-7;1-13-8(12)5-2-4(11)3-6(10)7(5)9;1-5-3-9-6(2-7)4-8-5;1-6-3-2-4-7-5-6;;;1-3-2;;;/h5-11,13H,12H2,1-4H3,(H,28,33);5-10H,1-4H3;4-9H,1-3H3,(H,24,25);4-6H,1-3H3;4-6H,1-3H3,(H,15,16);2-3H,11H2,1H3;3-4H,2,7H2,1H3;2-3,5H,1H3;1H;;;;1H2;/q;;;;;;;-1;;+1;-1;+1;;+2/p-2
• InChIKey: GKPAYBRKYJAECG-UHFFFAOYSA-L
• XLogP: 13.30
• TPSA: 618.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2643.09
LogP ≤ 5	13.30
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;bromozinc(1+);2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide;2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide?

The IUPAC name of lithium;sodium;bromozinc(1+);2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide;2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide (CID 161094899) is lithium;sodium;bromozinc(1+);2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide;2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide.

What is the SMILES notation for lithium;sodium;bromozinc(1+);2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide;2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide?

The canonical SMILES for lithium;sodium;bromozinc(1+);2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide;2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide is COC(=O)c1cc(-n2nnnc2C(C)C)cc(-c2ccc(C)cn2)c1F.COC(=O)c1cc(-n2nnnc2C(C)C)cc(I)c1F.COC(=O)c1cc(N)cc(I)c1F.COC(=O)c1cc(NC(=O)C(C)C)cc(I)c1F.Cc1cc[c-]nc1.Cc1ccc(-c2cc(-n3nnnc3C(C)C)cc(C(=O)NCc3cnc(C)cn3)c2F)nc1.Cc1ccc(-c2cc(-n3nnnc3C(C)C)cc(C(=O)O)c2F)nc1.Cc1cnc(CN)cn1.[Li+].[N-]=[N+]=[N-].[Na+].[OH-].[Zn+]Br.

What is the InChIKey of lithium;sodium;bromozinc(1+);2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide;2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide?

The InChIKey is GKPAYBRKYJAECG-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H23FN8O.C18H18FN5O2.C17H16FN5O2.C12H12FIN4O2.C12H13FINO3.C8H7FINO2.C6H9N3.C6H6N.BrH.Li.N3.Na.H2O.Zn/c1-13(2)22-29-30-31-32(22)17-7-18(20-6-5-14(3)9-27-20)21(24)19(8-17)23(33)28-12-16-11-25-15(4)10-26-16;1-10(2)17-21-22-23-24(17)12-7-13(15-6-5-11(3)9-20-15)16(19)14(8-12)18(25)26-4;1-9(2)16-20-21-22-23(16)11-6-12(14-5-4-10(3)8-19-14)15(18)13(7-11)17(24)25;1-6(2)11-15-16-17-18(11)7-4-8(12(19)20-3)10(13)9(14)5-7;1-6(2)11(16)15-7-4-8(12(17)18-3)10(13)9(14)5-7;1-13-8(12)5-2-4(11)3-6(10)7(5)9;1-5-3-9-6(2-7)4-8-5;1-6-3-2-4-7-5-6;;;1-3-2;;;/h5-11,13H,12H2,1-4H3,(H,28,33);5-10H,1-4H3;4-9H,1-3H3,(H,24,25);4-6H,1-3H3;4-6H,1-3H3,(H,15,16);2-3H,11H2,1H3;3-4H,2,7H2,1H3;2-3,5H,1H3;1H;;;;1H2;/q;;;;;;;-1;;+1;-1;+1;;+2/p-2.

What are the key properties of lithium;sodium;bromozinc(1+);2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide;2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide?

lithium;sodium;bromozinc(1+);2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide;2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide has a molecular weight of 2643.09 g/mol, XLogP of 13.30, 22 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;sodium;bromozinc(1+);2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzamide;2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoic acid;methyl 5-amino-2-fluoro-3-iodobenzoate;methyl 2-fluoro-3-iodo-5-(2-methylpropanoylamino)benzoate;methyl 2-fluoro-3-iodo-5-(5-propan-2-yltetrazol-1-yl)benzoate;methyl 2-fluoro-3-(5-methyl-2-pyridinyl)-5-(5-propan-2-yltetrazol-1-yl)benzoate;(5-methylpyrazin-2-yl)methanamine;5-methyl-2H-pyridin-2-ide;azide;hydroxide is sourced from PubChem (CID 161094899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).