3-[[5-[(2-methoxy-6-methyl-4-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid

C22H20N4O5 — CID 162661673

IUPAC3-[[5-[(2-methoxy-6-methyl-4-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid
SMILESCOc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)cc(C)n1
InChIInChI=1S/C22H20N4O5/c1-13-9-16(11-20(23-13)29-3)31-19-8-7-17-21(25-19)26(2)18(24-17)12-30-15-6-4-5-14(10-15)22(27)28/h4-11H,12H2,1-3H3,(H,27,28)
InChIKeyYXSAVKVZVZAQQT-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.75
Rot. Bonds7

About 3-[[5-[(2-methoxy-6-methyl-4-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid

3-[[5-[(2-methoxy-6-methyl-4-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid (PubChem CID 162661673) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is 3-[[5-[(2-methoxy-6-methyl-4-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-[[5-[(2-methoxy-6-methyl-4-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid
PubChem CID162661673
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC Name3-[[5-[(2-methoxy-6-methyl-4-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid
SMILESCOc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)cc(C)n1
InChIInChI=1S/C22H20N4O5/c1-13-9-16(11-20(23-13)29-3)31-19-8-7-17-21(25-19)26(2)18(24-17)12-30-15-6-4-5-14(10-15)22(27)28/h4-11H,12H2,1-3H3,(H,27,28)
InChIKeyYXSAVKVZVZAQQT-UHFFFAOYSA-N
XLogP3.75
TPSA108.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(2-methoxy-6-methyl-4-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid?
The IUPAC name of 3-[[5-[(2-methoxy-6-methyl-4-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid (CID 162661673) is 3-[[5-[(2-methoxy-6-methyl-4-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid.
What is the SMILES notation for 3-[[5-[(2-methoxy-6-methyl-4-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid?
The canonical SMILES for 3-[[5-[(2-methoxy-6-methyl-4-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid is COc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)cc(C)n1.
What is the InChIKey of 3-[[5-[(2-methoxy-6-methyl-4-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid?
The InChIKey is YXSAVKVZVZAQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-13-9-16(11-20(23-13)29-3)31-19-8-7-17-21(25-19)26(2)18(24-17)12-30-15-6-4-5-14(10-15)22(27)28/h4-11H,12H2,1-3H3,(H,27,28).
What are the key properties of 3-[[5-[(2-methoxy-6-methyl-4-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid?
3-[[5-[(2-methoxy-6-methyl-4-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid has a molecular weight of 420.43 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(2-methoxy-6-methyl-4-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid is sourced from PubChem (CID 162661673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).