[3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine

C15H14ClN3O — CID 84760117

IUPAC[3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine
SMILESNCc1nc(COc2ccc(Cl)cc2)n2ccccc12
InChIInChI=1S/C15H14ClN3O/c16-11-4-6-12(7-5-11)20-10-15-18-13(9-17)14-3-1-2-8-19(14)15/h1-8H,9-10,17H2
InChIKeyFIFMOLILXOKWMH-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.03
Rot. Bonds4

About [3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine

[3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine (PubChem CID 84760117) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is [3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine
PubChem CID84760117
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name[3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine
SMILESNCc1nc(COc2ccc(Cl)cc2)n2ccccc12
InChIInChI=1S/C15H14ClN3O/c16-11-4-6-12(7-5-11)20-10-15-18-13(9-17)14-3-1-2-8-19(14)15/h1-8H,9-10,17H2
InChIKeyFIFMOLILXOKWMH-UHFFFAOYSA-N
XLogP3.03
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82225553
3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255676
3-[(4-fluorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246965
3-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]propan-1-amine
CID 94231471
[3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine
CID 28752221
(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)methanamine
CID 28752172
1-[(4-bromophenyl)methyl]-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 16997072
2-(4-chlorophenoxy)-1-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
CID 10739297
2-[(4-chlorophenoxy)methyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole
CID 3789114
3-[(2-chlorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 84760083
[5-[(4-chlorophenoxy)methyl]-1-propan-2-yltriazol-4-yl]methanamine
CID 82207067
7-chloro-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257284

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine?
The IUPAC name of [3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine (CID 84760117) is [3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine.
What is the SMILES notation for [3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine?
The canonical SMILES for [3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine is NCc1nc(COc2ccc(Cl)cc2)n2ccccc12.
What is the InChIKey of [3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine?
The InChIKey is FIFMOLILXOKWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-11-4-6-12(7-5-11)20-10-15-18-13(9-17)14-3-1-2-8-19(14)15/h1-8H,9-10,17H2.
What are the key properties of [3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine?
[3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine has a molecular weight of 287.75 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenoxy)methyl]imidazo[1,5-a]pyridin-1-yl]methanamine is sourced from PubChem (CID 84760117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).