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

C20H13F4N5O3 — CID 42626266

IUPAC1-[2-fluoro-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)ccc1F
InChIInChI=1S/C20H13F4N5O3/c21-13-6-1-10(20(22,23)24)9-14(13)27-18(30)26-11-2-4-12(5-3-11)32-15-7-8-25-17-16(15)28-19(31)29-17/h1-9H,(H2,26,27,30)(H2,25,28,29,31)
InChIKeyWNZBMWJEOYZHRU-UHFFFAOYSA-N
MW447.35 g/mol
LogP4.85
Rot. Bonds4

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

1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (PubChem CID 42626266) has the molecular formula C20H13F4N5O3 and a molecular weight of 447.35 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
PubChem CID42626266
Molecular FormulaC20H13F4N5O3
Molecular Weight447.35 g/mol
Exact Mass447.10
IUPAC Name1-[2-fluoro-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)ccc1F
InChIInChI=1S/C20H13F4N5O3/c21-13-6-1-10(20(22,23)24)9-14(13)27-18(30)26-11-2-4-12(5-3-11)32-15-7-8-25-17-16(15)28-19(31)29-17/h1-9H,(H2,26,27,30)(H2,25,28,29,31)
InChIKeyWNZBMWJEOYZHRU-UHFFFAOYSA-N
XLogP4.85
TPSA111.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.35
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-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-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea (CID 42626266) is 1-[2-fluoro-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-fluoro-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-fluoro-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)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
The InChIKey is WNZBMWJEOYZHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O3/c21-13-6-1-10(20(22,23)24)9-14(13)27-18(30)26-11-2-4-12(5-3-11)32-15-7-8-25-17-16(15)28-19(31)29-17/h1-9H,(H2,26,27,30)(H2,25,28,29,31).
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea?
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea has a molecular weight of 447.35 g/mol, XLogP of 4.85, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea is sourced from PubChem (CID 42626266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).