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

C24H21F3N6O4 — CID 42626269

IUPAC1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-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(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C24H21F3N6O4/c25-24(26,27)14-1-6-18(33-9-11-36-12-10-33)17(13-14)30-22(34)29-15-2-4-16(5-3-15)37-19-7-8-28-21-20(19)31-23(35)32-21/h1-8,13H,9-12H2,(H2,29,30,34)(H2,28,31,32,35)
InChIKeyUITKWEPMTYDTTM-UHFFFAOYSA-N
MW514.46 g/mol
LogP4.54
Rot. Bonds5

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

1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (PubChem CID 42626269) has the molecular formula C24H21F3N6O4 and a molecular weight of 514.46 g/mol. Its IUPAC name is 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
PubChem CID42626269
Molecular FormulaC24H21F3N6O4
Molecular Weight514.46 g/mol
Exact Mass514.16
IUPAC Name1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-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(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C24H21F3N6O4/c25-24(26,27)14-1-6-18(33-9-11-36-12-10-33)17(13-14)30-22(34)29-15-2-4-16(5-3-15)37-19-7-8-28-21-20(19)31-23(35)32-21/h1-8,13H,9-12H2,(H2,29,30,34)(H2,28,31,32,35)
InChIKeyUITKWEPMTYDTTM-UHFFFAOYSA-N
XLogP4.54
TPSA124.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.46
LogP ≤ 54.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-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

Related Compounds

Imidazopyridine-urea,42
CID 10117977
V600Ebraf-IN-1
CID 11719900
Pyridoimidazolone, 26
CID 42625162
Urea, N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[4-[(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-
CID 42625505
Pyridoimidazolone, 5d
CID 42626192
Pyridoimidazolone, 5e
CID 42626193
Pyridoimidazolone, 5h
CID 42626196
Urea, N-[4-[(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-N'-[2-methoxy-5-(trifluoromethyl)phenyl]-
CID 42626197
Pyridoimidazolone, 5j
CID 42626265
Pyridoimidazolone, 5m
CID 42626268
Pyridoimidazolone, 5o
CID 42626270
Pyridoimidazolone, 5k
CID 42626266

Frequently Asked Questions

What is the IUPAC name of 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The IUPAC name of 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (CID 42626269) is 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.
What is the SMILES notation for 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The canonical SMILES for 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-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(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The InChIKey is UITKWEPMTYDTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O4/c25-24(26,27)14-1-6-18(33-9-11-36-12-10-33)17(13-14)30-22(34)29-15-2-4-16(5-3-15)37-19-7-8-28-21-20(19)31-23(35)32-21/h1-8,13H,9-12H2,(H2,29,30,34)(H2,28,31,32,35).
What are the key properties of 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea has a molecular weight of 514.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is sourced from PubChem (CID 42626269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).