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

C15H13N3O4 — CID 117255515

IUPAC7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1ccn2c(COc3ccc(O)cc3)nc(C(=O)O)c2c1
InChIInChI=1S/C15H13N3O4/c16-9-5-6-18-12(7-9)14(15(20)21)17-13(18)8-22-11-3-1-10(19)2-4-11/h1-7,19H,8,16H2,(H,20,21)
InChIKeyKUPCDQAZQASILA-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.90
Rot. Bonds4

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

7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255515) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255515
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1ccn2c(COc3ccc(O)cc3)nc(C(=O)O)c2c1
InChIInChI=1S/C15H13N3O4/c16-9-5-6-18-12(7-9)14(15(20)21)17-13(18)8-22-11-3-1-10(19)2-4-11/h1-7,19H,8,16H2,(H,20,21)
InChIKeyKUPCDQAZQASILA-UHFFFAOYSA-N
XLogP1.90
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255504
7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255453
6-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255302
3-[(4-fluorophenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246965
3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246957
7-hydroxy-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251556
7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255464
3-[(4-fluorophenoxy)methyl]-6-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255306
8-hydroxy-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255569
3-[(3-hydroxyphenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255250
5-chloro-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255208
7-amino-3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251691

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255515) is 7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid is Nc1ccn2c(COc3ccc(O)cc3)nc(C(=O)O)c2c1.
What is the InChIKey of 7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is KUPCDQAZQASILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c16-9-5-6-18-12(7-9)14(15(20)21)17-13(18)8-22-11-3-1-10(19)2-4-11/h1-7,19H,8,16H2,(H,20,21).
What are the key properties of 7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid?
7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 299.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).