6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene

C76H65ClF3N11O4 — CID 159529240

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene
SMILESCN.CNC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Cl)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2)ccc1F.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C21H17FN4O.C20H13ClFN3O.C20H14FN3O2.2C7H8.CH5N/c1-13-10-14(5-7-17(13)22)20-16(4-3-9-24-20)15-6-8-19-25-11-18(21(27)23-2)26(19)12-15;1-12-9-13(4-6-16(12)22)19-15(3-2-8-23-19)14-5-7-18-24-10-17(20(21)26)25(18)11-14;1-12-9-13(4-6-16(12)21)19-15(3-2-8-22-19)14-5-7-18-23-10-17(20(25)26)24(18)11-14;2*1-7-5-3-2-4-6-7;1-2/h3-12H,1-2H3,(H,23,27);2-11H,1H3;2-11H,1H3,(H,25,26);2*2-6H,1H3;2H2,1H3
InChIKeyMCTWOCPUBNTOLT-UHFFFAOYSA-N
MW1288.88 g/mol
LogP16.53
Rot. Bonds9

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene (PubChem CID 159529240) has the molecular formula C76H65ClF3N11O4 and a molecular weight of 1288.88 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene
PubChem CID159529240
Molecular FormulaC76H65ClF3N11O4
Molecular Weight1288.88 g/mol
Exact Mass1287.49
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene
SMILESCN.CNC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Cl)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2)ccc1F.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C21H17FN4O.C20H13ClFN3O.C20H14FN3O2.2C7H8.CH5N/c1-13-10-14(5-7-17(13)22)20-16(4-3-9-24-20)15-6-8-19-25-11-18(21(27)23-2)26(19)12-15;1-12-9-13(4-6-16(12)22)19-15(3-2-8-23-19)14-5-7-18-24-10-17(20(21)26)25(18)11-14;1-12-9-13(4-6-16(12)21)19-15(3-2-8-22-19)14-5-7-18-23-10-17(20(25)26)24(18)11-14;2*1-7-5-3-2-4-6-7;1-2/h3-12H,1-2H3,(H,23,27);2-11H,1H3;2-11H,1H3,(H,25,26);2*2-6H,1H3;2H2,1H3
InChIKeyMCTWOCPUBNTOLT-UHFFFAOYSA-N
XLogP16.53
TPSA200.06 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001288.88
LogP ≤ 516.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene with MolForge

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Related Compounds

N-(2,2-difluoroethyl)-6-[2-(6-methylpyridin-2-yl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(6-methylpyridin-2-yl)pyridin-3-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 122478588
8-Amino-6-(4-fluorophenyl)-5-[1-[[6-(4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-methylbenzimidazol-1-ium-5-yl]imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 153617728
7-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;7-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,5-a]pyridine;7-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine
CID 157129590
8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[8-ethyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 157210328
N-pyridin-3-yl-2-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 157810433
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
CID 158182798
6-Phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;(6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 158416540
8-amino-6-(3-fluorophenyl)-N-methyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 158503217
CID 158702050
CID 158702050
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
CID 159050204
8-amino-6-(3-fluorophenyl)-N,N-dimethyl-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxamide;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 160469790
1-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone
CID 160776849

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene (CID 159529240) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene is CN.CNC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Cl)n3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2)ccc1F.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene?
The InChIKey is MCTWOCPUBNTOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O.C20H13ClFN3O.C20H14FN3O2.2C7H8.CH5N/c1-13-10-14(5-7-17(13)22)20-16(4-3-9-24-20)15-6-8-19-25-11-18(21(27)23-2)26(19)12-15;1-12-9-13(4-6-16(12)22)19-15(3-2-8-23-19)14-5-7-18-24-10-17(20(21)26)25(18)11-14;1-12-9-13(4-6-16(12)21)19-15(3-2-8-22-19)14-5-7-18-23-10-17(20(25)26)24(18)11-14;2*1-7-5-3-2-4-6-7;1-2/h3-12H,1-2H3,(H,23,27);2-11H,1H3;2-11H,1H3,(H,25,26);2*2-6H,1H3;2H2,1H3.
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene has a molecular weight of 1288.88 g/mol, XLogP of 16.53, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonyl chloride;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methanamine;toluene is sourced from PubChem (CID 159529240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).