3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide

C23H20FN5O4 — CID 42625243

IUPAC3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C23H20FN5O4/c24-15-11-14(12-17(13-15)29-7-9-32-10-8-29)22(30)26-16-1-3-18(4-2-16)33-19-5-6-25-21-20(19)27-23(31)28-21/h1-6,11-13H,7-10H2,(H,26,30)(H2,25,27,28,31)
InChIKeyQFKAWABYQZOQOY-UHFFFAOYSA-N
MW449.44 g/mol
LogP3.27
Rot. Bonds5

About 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide

3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide (PubChem CID 42625243) has the molecular formula C23H20FN5O4 and a molecular weight of 449.44 g/mol. Its IUPAC name is 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide
PubChem CID42625243
Molecular FormulaC23H20FN5O4
Molecular Weight449.44 g/mol
Exact Mass449.15
IUPAC Name3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C23H20FN5O4/c24-15-11-14(12-17(13-15)29-7-9-32-10-8-29)22(30)26-16-1-3-18(4-2-16)33-19-5-6-25-21-20(19)27-23(31)28-21/h1-6,11-13H,7-10H2,(H,26,30)(H2,25,27,28,31)
InChIKeyQFKAWABYQZOQOY-UHFFFAOYSA-N
XLogP3.27
TPSA112.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide?
The IUPAC name of 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide (CID 42625243) is 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide?
The canonical SMILES for 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide is O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)c1cc(F)cc(N2CCOCC2)c1.
What is the InChIKey of 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide?
The InChIKey is QFKAWABYQZOQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O4/c24-15-11-14(12-17(13-15)29-7-9-32-10-8-29)22(30)26-16-1-3-18(4-2-16)33-19-5-6-25-21-20(19)27-23(31)28-21/h1-6,11-13H,7-10H2,(H,26,30)(H2,25,27,28,31).
What are the key properties of 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide?
3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide has a molecular weight of 449.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide is sourced from PubChem (CID 42625243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).