7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid

C16H14N2O4 — CID 117255453

IUPAC7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccc(OCc2nc(C(=O)O)c3cc(O)ccn23)cc1
InChIInChI=1S/C16H14N2O4/c1-10-2-4-12(5-3-10)22-9-14-17-15(16(20)21)13-8-11(19)6-7-18(13)14/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyPLGZZXSKIRNHKO-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.63
Rot. Bonds4

About 7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid

7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255453) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255453
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccc(OCc2nc(C(=O)O)c3cc(O)ccn23)cc1
InChIInChI=1S/C16H14N2O4/c1-10-2-4-12(5-3-10)22-9-14-17-15(16(20)21)13-8-11(19)6-7-18(13)14/h2-8,19H,9H2,1H3,(H,20,21)
InChIKeyPLGZZXSKIRNHKO-UHFFFAOYSA-N
XLogP2.63
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255302
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
7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255504
7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255464
7-hydroxy-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251556
7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255433
3-[(4-fluorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246965
3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255306
3-[(3-hydroxyphenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255250
7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251758
3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058944

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255453) is 7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid is Cc1ccc(OCc2nc(C(=O)O)c3cc(O)ccn23)cc1.
What is the InChIKey of 7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is PLGZZXSKIRNHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-10-2-4-12(5-3-10)22-9-14-17-15(16(20)21)13-8-11(19)6-7-18(13)14/h2-8,19H,9H2,1H3,(H,20,21).
What are the key properties of 7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).