lithium;N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methane;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide

C62H57F2LiN14O4 — CID 158663279

About lithium;N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methane;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide

lithium;N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methane;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide (PubChem CID 158663279) has the molecular formula C62H57F2LiN14O4 and a molecular weight of 1107.17 g/mol. Its IUPAC name is lithium;N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methane;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: lithium;N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methane;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide
• PubChem CID: 158663279
• Molecular Formula: C62H57F2LiN14O4
• Molecular Weight: 1107.17 g/mol
• Exact Mass: 1106.48
• IUPAC Name: lithium;N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methane;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide
• SMILES: C.C.C.Cc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)NCC(F)F)n3c2)n1.Cc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2)n1.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(C)n3)cn12.[Li+].[OH-]
• InChI: InChI=1S/C21H17F2N5O.C19H13N5.C19H14N4O2.3CH4.Li.H2O/c1-13-4-2-6-16(27-13)20-15(5-3-9-24-20)14-7-8-19-25-10-17(28(19)12-14)21(29)26-11-18(22)23;1-13-5-3-7-16(23-13)19-15(6-4-10-21-19)14-8-9-17-22-11-18(20-2)24(17)12-14;1-12-4-2-6-15(22-12)18-14(5-3-9-20-18)13-7-8-17-21-10-16(19(24)25)23(17)11-13;;;;;/h2-10,12,18H,11H2,1H3,(H,26,29);3-12H,1H3;2-11H,1H3,(H,24,25);3*1H4;;1H2/q;;;;;;+1;/p-1
• InChIKey: IDAHVOKUEQFXQW-UHFFFAOYSA-M
• XLogP: 10.28
• TPSA: 230.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1107.17
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methane;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide?

The IUPAC name of lithium;N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methane;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide (CID 158663279) is lithium;N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methane;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide.

What is the SMILES notation for lithium;N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methane;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide?

The canonical SMILES for lithium;N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methane;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide is C.C.C.Cc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)NCC(F)F)n3c2)n1.Cc1cccc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2)n1.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(C)n3)cn12.[Li+].[OH-].

What is the InChIKey of lithium;N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methane;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide?

The InChIKey is IDAHVOKUEQFXQW-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H17F2N5O.C19H13N5.C19H14N4O2.3CH4.Li.H2O/c1-13-4-2-6-16(27-13)20-15(5-3-9-24-20)14-7-8-19-25-10-17(28(19)12-14)21(29)26-11-18(22)23;1-13-5-3-7-16(23-13)19-15(6-4-10-21-19)14-8-9-17-22-11-18(20-2)24(17)12-14;1-12-4-2-6-15(22-12)18-14(5-3-9-20-18)13-7-8-17-21-10-16(19(24)25)23(17)11-13;;;;;/h2-10,12,18H,11H2,1H3,(H,26,29);3-12H,1H3;2-11H,1H3,(H,24,25);3*1H4;;1H2/q;;;;;;+1;/p-1.

What are the key properties of lithium;N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methane;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide?

lithium;N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methane;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide has a molecular weight of 1107.17 g/mol, XLogP of 10.28, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;N-(2,2-difluoroethyl)-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine;methane;6-[2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;hydroxide is sourced from PubChem (CID 158663279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).