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

C20H12ClF3N4O3 — CID 24850045

IUPAC4-chloro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Oc2ccnc3[nH]c(=O)[nH]c23)c1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H12ClF3N4O3/c21-14-5-4-10(8-13(14)20(22,23)24)18(29)26-11-2-1-3-12(9-11)31-15-6-7-25-17-16(15)27-19(30)28-17/h1-9H,(H,26,29)(H2,25,27,28,30)
InChIKeyVDTMODYYJFMWFA-UHFFFAOYSA-N
MW448.79 g/mol
LogP4.97
Rot. Bonds4

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

4-chloro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 24850045) has the molecular formula C20H12ClF3N4O3 and a molecular weight of 448.79 g/mol. Its IUPAC name is 4-chloro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID24850045
Molecular FormulaC20H12ClF3N4O3
Molecular Weight448.79 g/mol
Exact Mass448.06
IUPAC Name4-chloro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Oc2ccnc3[nH]c(=O)[nH]c23)c1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H12ClF3N4O3/c21-14-5-4-10(8-13(14)20(22,23)24)18(29)26-11-2-1-3-12(9-11)31-15-6-7-25-17-16(15)27-19(30)28-17/h1-9H,(H,26,29)(H2,25,27,28,30)
InChIKeyVDTMODYYJFMWFA-UHFFFAOYSA-N
XLogP4.97
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.79
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide (CID 24850045) is 4-chloro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(Oc2ccnc3[nH]c(=O)[nH]c23)c1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is VDTMODYYJFMWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N4O3/c21-14-5-4-10(8-13(14)20(22,23)24)18(29)26-11-2-1-3-12(9-11)31-15-6-7-25-17-16(15)27-19(30)28-17/h1-9H,(H,26,29)(H2,25,27,28,30).
What are the key properties of 4-chloro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide?
4-chloro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 448.79 g/mol, XLogP of 4.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 24850045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).