5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid

C66H53ClN10O4 — CID 162122314

IUPAC5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCN(Cc1ccc(C#N)cc1)Cc1c(-c2ccccc2)ccc2cncn12.COC(=O)c1c(-c2ccccc2)ccc2cncn12.ClCc1c(-c2ccccc2)ccc2cncn12.O=C(O)c1c(-c2ccccc2)ccc2cncn12
InChIInChI=1S/C23H20N4.C15H12N2O2.C14H11ClN2.C14H10N2O2/c1-26(15-19-9-7-18(13-24)8-10-19)16-23-22(20-5-3-2-4-6-20)12-11-21-14-25-17-27(21)23;1-19-15(18)14-13(11-5-3-2-4-6-11)8-7-12-9-16-10-17(12)14;15-8-14-13(11-4-2-1-3-5-11)7-6-12-9-16-10-17(12)14;17-14(18)13-12(10-4-2-1-3-5-10)7-6-11-8-15-9-16(11)13/h2-12,14,17H,15-16H2,1H3;2-10H,1H3;1-7,9-10H,8H2;1-9H,(H,17,18)
InChIKeyZHOREZDXVVACJJ-UHFFFAOYSA-N
MW1085.67 g/mol
LogP13.73
Rot. Bonds11

About 5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid

5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 162122314) has the molecular formula C66H53ClN10O4 and a molecular weight of 1085.67 g/mol. Its IUPAC name is 5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID162122314
Molecular FormulaC66H53ClN10O4
Molecular Weight1085.67 g/mol
Exact Mass1084.39
IUPAC Name5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESCN(Cc1ccc(C#N)cc1)Cc1c(-c2ccccc2)ccc2cncn12.COC(=O)c1c(-c2ccccc2)ccc2cncn12.ClCc1c(-c2ccccc2)ccc2cncn12.O=C(O)c1c(-c2ccccc2)ccc2cncn12
InChIInChI=1S/C23H20N4.C15H12N2O2.C14H11ClN2.C14H10N2O2/c1-26(15-19-9-7-18(13-24)8-10-19)16-23-22(20-5-3-2-4-6-20)12-11-21-14-25-17-27(21)23;1-19-15(18)14-13(11-5-3-2-4-6-11)8-7-12-9-16-10-17(12)14;15-8-14-13(11-4-2-1-3-5-11)7-6-12-9-16-10-17(12)14;17-14(18)13-12(10-4-2-1-3-5-10)7-6-11-8-15-9-16(11)13/h2-12,14,17H,15-16H2,1H3;2-10H,1H3;1-7,9-10H,8H2;1-9H,(H,17,18)
InChIKeyZHOREZDXVVACJJ-UHFFFAOYSA-N
XLogP13.73
TPSA159.83 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001085.67
LogP ≤ 513.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid with MolForge

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Related Compounds

5-Bromo-2-methyl-1-oxidopyridin-1-ium;5-bromo-2-methylpyridine;3-bromo-6-methylpyridine-2-carbonitrile;3-bromo-6-methylpyridine-2-carboxylic acid;methyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;methyl 3-bromo-6-(bromomethyl)pyridine-2-carboxylate;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methyl 3-bromo-6-methylpyridine-2-carboxylate;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 157276223
1,3-Bis(7-phenylimidazo[1,5-a]pyridin-5-yl)propan-2-one;methyl 6-(aminomethyl)-4-phenylpyridine-2-carboxylate;methyl 6-(3-oxopropyl)-4-phenylpyridine-2-carboxylate;methyl 7-phenylimidazo[1,5-a]pyridine-5-carboxylate;7-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 157929061
Methyl 4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 158596879
Ethyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;ethyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanoate;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)butyl]benzonitrile;2-(6-phenylimidazo[1,5-a]pyridin-5-yl)propanoic acid
CID 158877627
6-Bromoimidazo[1,5-a]pyridine-5-carboxylic acid;4-[3-(6-bromoimidazo[1,5-a]pyridin-5-yl)-2-oxopropyl]benzonitrile;4-[3-[6-(4-fluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-oxopropyl]benzonitrile;methyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate
CID 159026670
4-[3-(4-Cyanophenyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;4-(1-methylcyclohexyl)morpholine;4-[6-[4-(4-methyl-4-morpholin-4-ylcyclohexanecarbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
CID 159729225
Magnesium;cyclohexane;cyclohexyl-(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6,7,8-trichloroimidazo[1,5-a]pyridine-5-carboxylate;methane;6,7,8-trichloroimidazo[1,5-a]pyridine-5-carbaldehyde;(6,7,8-trichloroimidazo[1,5-a]pyridin-5-yl)methanol;chloride
CID 161002995
2-Acetyloxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid;[3-(4-cyanophenyl)-2-oxo-1-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl] acetate;ethyl 2-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;ethyl 2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetate;2-hydroxy-2-(6-phenylimidazo[1,5-a]pyridin-5-yl)acetic acid
CID 161611386

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid (CID 162122314) is 5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid is CN(Cc1ccc(C#N)cc1)Cc1c(-c2ccccc2)ccc2cncn12.COC(=O)c1c(-c2ccccc2)ccc2cncn12.ClCc1c(-c2ccccc2)ccc2cncn12.O=C(O)c1c(-c2ccccc2)ccc2cncn12.
What is the InChIKey of 5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is ZHOREZDXVVACJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4.C15H12N2O2.C14H11ClN2.C14H10N2O2/c1-26(15-19-9-7-18(13-24)8-10-19)16-23-22(20-5-3-2-4-6-20)12-11-21-14-25-17-27(21)23;1-19-15(18)14-13(11-5-3-2-4-6-11)8-7-12-9-16-10-17(12)14;15-8-14-13(11-4-2-1-3-5-11)7-6-12-9-16-10-17(12)14;17-14(18)13-12(10-4-2-1-3-5-10)7-6-11-8-15-9-16(11)13/h2-12,14,17H,15-16H2,1H3;2-10H,1H3;1-7,9-10H,8H2;1-9H,(H,17,18).
What are the key properties of 5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid?
5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 1085.67 g/mol, XLogP of 13.73, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-phenylimidazo[1,5-a]pyridine;methyl 6-phenylimidazo[1,5-a]pyridine-5-carboxylate;4-[[methyl-[(6-phenylimidazo[1,5-a]pyridin-5-yl)methyl]amino]methyl]benzonitrile;6-phenylimidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 162122314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).