3-[[3-methyl-5-(4-methylphenoxy)imidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid

C22H19N3O4 — CID 68661514

IUPAC3-[[3-methyl-5-(4-methylphenoxy)imidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid
SMILESCc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)cc1
InChIInChI=1S/C22H19N3O4/c1-14-6-8-16(9-7-14)29-20-11-10-18-21(24-20)25(2)19(23-18)13-28-17-5-3-4-15(12-17)22(26)27/h3-12H,13H2,1-2H3,(H,26,27)
InChIKeyADEWPQIVNWFIED-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.35
Rot. Bonds6

About 3-[[3-methyl-5-(4-methylphenoxy)imidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid

3-[[3-methyl-5-(4-methylphenoxy)imidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid (PubChem CID 68661514) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-[[3-methyl-5-(4-methylphenoxy)imidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-[[3-methyl-5-(4-methylphenoxy)imidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid
PubChem CID68661514
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name3-[[3-methyl-5-(4-methylphenoxy)imidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid
SMILESCc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)cc1
InChIInChI=1S/C22H19N3O4/c1-14-6-8-16(9-7-14)29-20-11-10-18-21(24-20)25(2)19(23-18)13-28-17-5-3-4-15(12-17)22(26)27/h3-12H,13H2,1-2H3,(H,26,27)
InChIKeyADEWPQIVNWFIED-UHFFFAOYSA-N
XLogP4.35
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-methyl-5-(4-methylphenoxy)imidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid?
The IUPAC name of 3-[[3-methyl-5-(4-methylphenoxy)imidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid (CID 68661514) is 3-[[3-methyl-5-(4-methylphenoxy)imidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid.
What is the SMILES notation for 3-[[3-methyl-5-(4-methylphenoxy)imidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid?
The canonical SMILES for 3-[[3-methyl-5-(4-methylphenoxy)imidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid is Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)cc1.
What is the InChIKey of 3-[[3-methyl-5-(4-methylphenoxy)imidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid?
The InChIKey is ADEWPQIVNWFIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14-6-8-16(9-7-14)29-20-11-10-18-21(24-20)25(2)19(23-18)13-28-17-5-3-4-15(12-17)22(26)27/h3-12H,13H2,1-2H3,(H,26,27).
What are the key properties of 3-[[3-methyl-5-(4-methylphenoxy)imidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid?
3-[[3-methyl-5-(4-methylphenoxy)imidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid has a molecular weight of 389.41 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methyl-5-(4-methylphenoxy)imidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid is sourced from PubChem (CID 68661514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).