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

C23H21FN6O4 — CID 42626268

IUPAC1-(3-fluoro-5-morpholin-4-ylphenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C23H21FN6O4/c24-14-11-16(13-17(12-14)30-7-9-33-10-8-30)27-22(31)26-15-1-3-18(4-2-15)34-19-5-6-25-21-20(19)28-23(32)29-21/h1-6,11-13H,7-10H2,(H2,26,27,31)(H2,25,28,29,32)
InChIKeySBEJXTFJZMWMFA-UHFFFAOYSA-N
MW464.46 g/mol
LogP3.66
Rot. Bonds5

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

1-(3-fluoro-5-morpholin-4-ylphenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (PubChem CID 42626268) has the molecular formula C23H21FN6O4 and a molecular weight of 464.46 g/mol. Its IUPAC name is 1-(3-fluoro-5-morpholin-4-ylphenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-5-morpholin-4-ylphenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
PubChem CID42626268
Molecular FormulaC23H21FN6O4
Molecular Weight464.46 g/mol
Exact Mass464.16
IUPAC Name1-(3-fluoro-5-morpholin-4-ylphenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C23H21FN6O4/c24-14-11-16(13-17(12-14)30-7-9-33-10-8-30)27-22(31)26-15-1-3-18(4-2-15)34-19-5-6-25-21-20(19)28-23(32)29-21/h1-6,11-13H,7-10H2,(H2,26,27,31)(H2,25,28,29,32)
InChIKeySBEJXTFJZMWMFA-UHFFFAOYSA-N
XLogP3.66
TPSA124.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-(3-fluoro-5-morpholin-4-ylphenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-morpholin-4-ylphenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The IUPAC name of 1-(3-fluoro-5-morpholin-4-ylphenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (CID 42626268) is 1-(3-fluoro-5-morpholin-4-ylphenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.
What is the SMILES notation for 1-(3-fluoro-5-morpholin-4-ylphenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The canonical SMILES for 1-(3-fluoro-5-morpholin-4-ylphenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1cc(F)cc(N2CCOCC2)c1.
What is the InChIKey of 1-(3-fluoro-5-morpholin-4-ylphenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The InChIKey is SBEJXTFJZMWMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O4/c24-14-11-16(13-17(12-14)30-7-9-33-10-8-30)27-22(31)26-15-1-3-18(4-2-15)34-19-5-6-25-21-20(19)28-23(32)29-21/h1-6,11-13H,7-10H2,(H2,26,27,31)(H2,25,28,29,32).
What are the key properties of 1-(3-fluoro-5-morpholin-4-ylphenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
1-(3-fluoro-5-morpholin-4-ylphenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea has a molecular weight of 464.46 g/mol, XLogP of 3.66, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-morpholin-4-ylphenyl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is sourced from PubChem (CID 42626268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).