7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid

C16H15N3O3 — CID 117255504

IUPAC7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1cccc(OCc2nc(C(=O)O)c3cc(N)ccn23)c1
InChIInChI=1S/C16H15N3O3/c1-10-3-2-4-12(7-10)22-9-14-18-15(16(20)21)13-8-11(17)5-6-19(13)14/h2-8H,9,17H2,1H3,(H,20,21)
InChIKeyOYWNBWGIRYMRES-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.50
Rot. Bonds4

About 7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid

7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255504) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255504
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1cccc(OCc2nc(C(=O)O)c3cc(N)ccn23)c1
InChIInChI=1S/C16H15N3O3/c1-10-3-2-4-12(7-10)22-9-14-18-15(16(20)21)13-8-11(17)5-6-19(13)14/h2-8H,9,17H2,1H3,(H,20,21)
InChIKeyOYWNBWGIRYMRES-UHFFFAOYSA-N
XLogP2.50
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255515
3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246957
8-methyl-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255669
7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255453
3-[(3-hydroxyphenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255250
1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid
CID 117187325
8-hydroxy-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255569
5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255208
6-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255302
7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246922
2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 16997962
2-[3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-triazol-4-yl]benzoic acid
CID 139069265

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255504) is 7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid is Cc1cccc(OCc2nc(C(=O)O)c3cc(N)ccn23)c1.
What is the InChIKey of 7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is OYWNBWGIRYMRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-3-2-4-12(7-10)22-9-14-18-15(16(20)21)13-8-11(17)5-6-19(13)14/h2-8H,9,17H2,1H3,(H,20,21).
What are the key properties of 7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).