lithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate

C83H69BrF5LiN18O10 — CID 162091768

IUPAClithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate
SMILESC.C#Cc1ccc2ncc(C(=O)OC)n2c1.COC(=O)c1cnc2ccc(C#Cc3nc(C)ccc3F)cn12.Cc1ccc(F)c(/C=C\c2ccc3ncc(C(N)=O)n3c2)n1.Cc1ccc(F)c(Br)n1.Cc1ccc(F)c(C#Cc2ccc3ncc(C(=O)O)n3c2)n1.Cc1ccc(F)c(C#Cc2ccc3ncc(C(N)=O)n3c2)n1.N.O.[Li+].[OH-]
InChIInChI=1S/C17H12FN3O2.C16H13FN4O.C16H11FN4O.C16H10FN3O2.C11H8N2O2.C6H5BrFN.CH4.Li.H3N.2H2O/c1-11-3-6-13(18)14(20-11)7-4-12-5-8-16-19-9-15(17(22)23-2)21(16)10-12;2*1-10-2-5-12(17)13(20-10)6-3-11-4-7-15-19-8-14(16(18)22)21(15)9-11;1-10-2-5-12(17)13(19-10)6-3-11-4-7-15-18-8-14(16(21)22)20(15)9-11;1-3-8-4-5-10-12-6-9(11(14)15-2)13(10)7-8;1-4-2-3-5(8)6(7)9-4;;;;;/h3,5-6,8-10H,1-2H3;2-9H,1H3,(H2,18,22);2,4-5,7-9H,1H3,(H2,18,22);2,4-5,7-9H,1H3,(H,21,22);1,4-7H,2H3;2-3H,1H3;1H4;;1H3;2*1H2/q;;;;;;;+1;;;/p-1/b;6-3-;;;;;;;;;
InChIKeyXSFZFTPQLWKRKD-SLUGJAIDSA-M
MW1660.42 g/mol
LogP8.95
Rot. Bonds7

About lithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate

lithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate (PubChem CID 162091768) has the molecular formula C83H69BrF5LiN18O10 and a molecular weight of 1660.42 g/mol. Its IUPAC name is lithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate
PubChem CID162091768
Molecular FormulaC83H69BrF5LiN18O10
Molecular Weight1660.42 g/mol
Exact Mass1658.47
IUPAC Namelithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate
SMILESC.C#Cc1ccc2ncc(C(=O)OC)n2c1.COC(=O)c1cnc2ccc(C#Cc3nc(C)ccc3F)cn12.Cc1ccc(F)c(/C=C\c2ccc3ncc(C(N)=O)n3c2)n1.Cc1ccc(F)c(Br)n1.Cc1ccc(F)c(C#Cc2ccc3ncc(C(=O)O)n3c2)n1.Cc1ccc(F)c(C#Cc2ccc3ncc(C(N)=O)n3c2)n1.N.O.[Li+].[OH-]
InChIInChI=1S/C17H12FN3O2.C16H13FN4O.C16H11FN4O.C16H10FN3O2.C11H8N2O2.C6H5BrFN.CH4.Li.H3N.2H2O/c1-11-3-6-13(18)14(20-11)7-4-12-5-8-16-19-9-15(17(22)23-2)21(16)10-12;2*1-10-2-5-12(17)13(20-10)6-3-11-4-7-15-19-8-14(16(18)22)21(15)9-11;1-10-2-5-12(17)13(19-10)6-3-11-4-7-15-18-8-14(16(21)22)20(15)9-11;1-3-8-4-5-10-12-6-9(11(14)15-2)13(10)7-8;1-4-2-3-5(8)6(7)9-4;;;;;/h3,5-6,8-10H,1-2H3;2-9H,1H3,(H2,18,22);2,4-5,7-9H,1H3,(H2,18,22);2,4-5,7-9H,1H3,(H,21,22);1,4-7H,2H3;2-3H,1H3;1H4;;1H3;2*1H2/q;;;;;;;+1;;;/p-1/b;6-3-;;;;;;;;;
InChIKeyXSFZFTPQLWKRKD-SLUGJAIDSA-M
XLogP8.95
TPSA423.53 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds7
Heavy Atoms118
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001660.42
LogP ≤ 58.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze lithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate?
The IUPAC name of lithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate (CID 162091768) is lithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate.
What is the SMILES notation for lithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate?
The canonical SMILES for lithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate is C.C#Cc1ccc2ncc(C(=O)OC)n2c1.COC(=O)c1cnc2ccc(C#Cc3nc(C)ccc3F)cn12.Cc1ccc(F)c(/C=C\c2ccc3ncc(C(N)=O)n3c2)n1.Cc1ccc(F)c(Br)n1.Cc1ccc(F)c(C#Cc2ccc3ncc(C(=O)O)n3c2)n1.Cc1ccc(F)c(C#Cc2ccc3ncc(C(N)=O)n3c2)n1.N.O.[Li+].[OH-].
What is the InChIKey of lithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate?
The InChIKey is XSFZFTPQLWKRKD-SLUGJAIDSA-M. The full InChI is InChI=1S/C17H12FN3O2.C16H13FN4O.C16H11FN4O.C16H10FN3O2.C11H8N2O2.C6H5BrFN.CH4.Li.H3N.2H2O/c1-11-3-6-13(18)14(20-11)7-4-12-5-8-16-19-9-15(17(22)23-2)21(16)10-12;2*1-10-2-5-12(17)13(20-10)6-3-11-4-7-15-19-8-14(16(18)22)21(15)9-11;1-10-2-5-12(17)13(19-10)6-3-11-4-7-15-18-8-14(16(21)22)20(15)9-11;1-3-8-4-5-10-12-6-9(11(14)15-2)13(10)7-8;1-4-2-3-5(8)6(7)9-4;;;;;/h3,5-6,8-10H,1-2H3;2-9H,1H3,(H2,18,22);2,4-5,7-9H,1H3,(H2,18,22);2,4-5,7-9H,1H3,(H,21,22);1,4-7H,2H3;2-3H,1H3;1H4;;1H3;2*1H2/q;;;;;;;+1;;;/p-1/b;6-3-;;;;;;;;;.
What are the key properties of lithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate?
lithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate has a molecular weight of 1660.42 g/mol, XLogP of 8.95, 7 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;azane;2-bromo-3-fluoro-6-methylpyridine;6-[(Z)-2-(3-fluoro-6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid;methane;methyl 6-ethynylimidazo[1,2-a]pyridine-3-carboxylate;methyl 6-[2-(3-fluoro-6-methyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylate;hydroxide;hydrate is sourced from PubChem (CID 162091768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).