3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid

C23H19ClN4O4 — CID 56932844

IUPAC3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid
SMILESO=C(O)c1cccc(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)c1
InChIInChI=1S/C23H19ClN4O4/c24-18-13-19-21(27-23(25-19)32-17-3-1-2-15(12-17)22(29)30)26-20(18)14-4-6-16(7-5-14)28-8-10-31-11-9-28/h1-7,12-13H,8-11H2,(H,29,30)(H,25,26,27)
InChIKeyYOBRTBXMBGRXQG-UHFFFAOYSA-N
MW450.88 g/mol
LogP4.61
Rot. Bonds5

About 3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid

3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid (PubChem CID 56932844) has the molecular formula C23H19ClN4O4 and a molecular weight of 450.88 g/mol. Its IUPAC name is 3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid.

Molecular Properties

Compound Name3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid
PubChem CID56932844
Molecular FormulaC23H19ClN4O4
Molecular Weight450.88 g/mol
Exact Mass450.11
IUPAC Name3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid
SMILESO=C(O)c1cccc(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)c1
InChIInChI=1S/C23H19ClN4O4/c24-18-13-19-21(27-23(25-19)32-17-3-1-2-15(12-17)22(29)30)26-20(18)14-4-6-16(7-5-14)28-8-10-31-11-9-28/h1-7,12-13H,8-11H2,(H,29,30)(H,25,26,27)
InChIKeyYOBRTBXMBGRXQG-UHFFFAOYSA-N
XLogP4.61
TPSA100.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid?
The IUPAC name of 3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid (CID 56932844) is 3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid.
What is the SMILES notation for 3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid?
The canonical SMILES for 3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid is O=C(O)c1cccc(Oc2nc3nc(-c4ccc(N5CCOCC5)cc4)c(Cl)cc3[nH]2)c1.
What is the InChIKey of 3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid?
The InChIKey is YOBRTBXMBGRXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4/c24-18-13-19-21(27-23(25-19)32-17-3-1-2-15(12-17)22(29)30)26-20(18)14-4-6-16(7-5-14)28-8-10-31-11-9-28/h1-7,12-13H,8-11H2,(H,29,30)(H,25,26,27).
What are the key properties of 3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid?
3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid has a molecular weight of 450.88 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]benzoic acid is sourced from PubChem (CID 56932844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).