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

C20H12F4N4O4 — CID 45139573

IUPACN-[3-fluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cc(F)cc(Oc2ccnc3[nH]c(=O)[nH]c23)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H12F4N4O4/c21-11-7-12(26-18(29)10-2-1-3-13(6-10)32-20(22,23)24)9-14(8-11)31-15-4-5-25-17-16(15)27-19(30)28-17/h1-9H,(H,26,29)(H2,25,27,28,30)
InChIKeyCAYUTAGGYGREFB-UHFFFAOYSA-N
MW448.33 g/mol
LogP4.33
Rot. Bonds5

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

N-[3-fluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide (PubChem CID 45139573) has the molecular formula C20H12F4N4O4 and a molecular weight of 448.33 g/mol. Its IUPAC name is N-[3-fluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-fluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
PubChem CID45139573
Molecular FormulaC20H12F4N4O4
Molecular Weight448.33 g/mol
Exact Mass448.08
IUPAC NameN-[3-fluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cc(F)cc(Oc2ccnc3[nH]c(=O)[nH]c23)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H12F4N4O4/c21-11-7-12(26-18(29)10-2-1-3-13(6-10)32-20(22,23)24)9-14(8-11)31-15-4-5-25-17-16(15)27-19(30)28-17/h1-9H,(H,26,29)(H2,25,27,28,30)
InChIKeyCAYUTAGGYGREFB-UHFFFAOYSA-N
XLogP4.33
TPSA109.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.33
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 45141561
N-[2,4-dichloro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 45139569
N-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 42625165
3-(fluoromethoxy)-N-[2,3,4-trifluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]benzamide
CID 88942827
N-[3-[(2-amino-3-nitro-4-pyridinyl)oxy]-5-chlorophenyl]-3-(trifluoromethoxy)benzamide
CID 45140537
7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 45140141
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122298256
3-tert-butyl-N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
CID 46228640
N-[3-[(3-pyrimidin-4-yl-2-pyridinyl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
CID 58396487
N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide
CID 170001772
7-(6,7-dimethoxyquinolin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 11376060
3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38033064

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-fluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide (CID 45139573) is N-[3-fluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-fluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-fluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide is O=C(Nc1cc(F)cc(Oc2ccnc3[nH]c(=O)[nH]c23)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[3-fluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
The InChIKey is CAYUTAGGYGREFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N4O4/c21-11-7-12(26-18(29)10-2-1-3-13(6-10)32-20(22,23)24)9-14(8-11)31-15-4-5-25-17-16(15)27-19(30)28-17/h1-9H,(H,26,29)(H2,25,27,28,30).
What are the key properties of N-[3-fluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?
N-[3-fluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 448.33 g/mol, XLogP of 4.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 45139573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).