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

C20H14F3N5O3 — CID 42626193

IUPAC1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14F3N5O3/c21-20(22,23)11-2-1-3-13(10-11)26-18(29)25-12-4-6-14(7-5-12)31-15-8-9-24-17-16(15)27-19(30)28-17/h1-10H,(H2,25,26,29)(H2,24,27,28,30)
InChIKeyJSAJMPSTISZDSY-UHFFFAOYSA-N
MW429.36 g/mol
LogP4.71
Rot. Bonds4

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

1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 42626193) has the molecular formula C20H14F3N5O3 and a molecular weight of 429.36 g/mol. Its IUPAC name is 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID42626193
Molecular FormulaC20H14F3N5O3
Molecular Weight429.36 g/mol
Exact Mass429.10
IUPAC Name1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14F3N5O3/c21-20(22,23)11-2-1-3-13(10-11)26-18(29)25-12-4-6-14(7-5-12)31-15-8-9-24-17-16(15)27-19(30)28-17/h1-10H,(H2,25,26,29)(H2,24,27,28,30)
InChIKeyJSAJMPSTISZDSY-UHFFFAOYSA-N
XLogP4.71
TPSA111.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 54.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethyl)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-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 42626193) is 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethyl)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-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1cccc(C(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-(trifluoromethyl)phenyl]urea?
The InChIKey is JSAJMPSTISZDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O3/c21-20(22,23)11-2-1-3-13(10-11)26-18(29)25-12-4-6-14(7-5-12)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-(trifluoromethyl)phenyl]urea?
1-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 429.36 g/mol, XLogP of 4.71, 4 rotatable bonds, 4 hydrogen bond donors, and 4 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-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 42626193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).