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

C20H14F3N5O4 — CID 42626196

IUPAC1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H14F3N5O4/c21-20(22,23)32-14-3-1-2-12(10-14)26-18(29)25-11-4-6-13(7-5-11)31-15-8-9-24-17-16(15)27-19(30)28-17/h1-10H,(H2,25,26,29)(H2,24,27,28,30)
InChIKeyYGLRBKJUBLFROV-UHFFFAOYSA-N
MW445.36 g/mol
LogP4.59
Rot. Bonds5

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

1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethoxy)phenyl]urea (PubChem CID 42626196) has the molecular formula C20H14F3N5O4 and a molecular weight of 445.36 g/mol. Its IUPAC name is 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethoxy)phenyl]urea
PubChem CID42626196
Molecular FormulaC20H14F3N5O4
Molecular Weight445.36 g/mol
Exact Mass445.10
IUPAC Name1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H14F3N5O4/c21-20(22,23)32-14-3-1-2-12(10-14)26-18(29)25-11-4-6-13(7-5-11)31-15-8-9-24-17-16(15)27-19(30)28-17/h1-10H,(H2,25,26,29)(H2,24,27,28,30)
InChIKeyYGLRBKJUBLFROV-UHFFFAOYSA-N
XLogP4.59
TPSA121.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethoxy)phenyl]urea (CID 42626196) is 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethoxy)phenyl]urea?
The InChIKey is YGLRBKJUBLFROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O4/c21-20(22,23)32-14-3-1-2-12(10-14)26-18(29)25-11-4-6-13(7-5-11)31-15-8-9-24-17-16(15)27-19(30)28-17/h1-10H,(H2,25,26,29)(H2,24,27,28,30).
What are the key properties of 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethoxy)phenyl]urea?
1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethoxy)phenyl]urea has a molecular weight of 445.36 g/mol, XLogP of 4.59, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 42626196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).