methyl 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate

C16H15N3O2 — CID 59140157

IUPACmethyl 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2cnc(C)n2c1Nc1ccccc1
InChIInChI=1S/C16H15N3O2/c1-11-17-10-13-8-9-14(16(20)21-2)15(19(11)13)18-12-6-4-3-5-7-12/h3-10,18H,1-2H3
InChIKeyMKRKXXLFLUDWAN-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.17
Rot. Bonds3

About methyl 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate

methyl 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate (PubChem CID 59140157) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is methyl 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate
PubChem CID59140157
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Namemethyl 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2cnc(C)n2c1Nc1ccccc1
InChIInChI=1S/C16H15N3O2/c1-11-17-10-13-8-9-14(16(20)21-2)15(19(11)13)18-12-6-4-3-5-7-12/h3-10,18H,1-2H3
InChIKeyMKRKXXLFLUDWAN-UHFFFAOYSA-N
XLogP3.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 5-benzyl-3-methylimidazo[1,5-a]pyridine-6-carboxylate
CID 123618155
methyl 3-anilinopyridine-4-carboxylate
CID 14221935
methyl 4-anilinopyridine-3-carboxylate
CID 119016910
methyl 2-anilino-5-bromopyridine-3-carboxylate
CID 14222077
dimethyl 2-anilino-5-methylbenzene-1,4-dicarboxylate
CID 59019297
methyl 5-anilino-2-phenylthiophene-3-carboxylate
CID 132562659
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[(5-amino-6-anilinopyrimidin-4-yl)amino]benzoate
CID 19146204
methane;methyl 4-anilinobenzoate
CID 160948347
methyl 4-anilino-2-(trifluoromethyl)benzoate
CID 165389025
methyl 3,8-dimethylimidazo[1,5-a]pyridine-7-carboxylate
CID 59565193
methyl 2-anilino-4,5-dimethoxybenzoate
CID 71428699

Frequently Asked Questions

What is the IUPAC name of methyl 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate (CID 59140157) is methyl 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2cnc(C)n2c1Nc1ccccc1.
What is the InChIKey of methyl 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate?
The InChIKey is MKRKXXLFLUDWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-17-10-13-8-9-14(16(20)21-2)15(19(11)13)18-12-6-4-3-5-7-12/h3-10,18H,1-2H3.
What are the key properties of methyl 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate?
methyl 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate has a molecular weight of 281.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-anilino-3-methylimidazo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 59140157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).