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

C20H11Cl2F3N4O4 — CID 45139569

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

N-[2,4-dichloro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide (PubChem CID 45139569) has the molecular formula C20H11Cl2F3N4O4 and a molecular weight of 499.23 g/mol. Its IUPAC name is N-[2,4-dichloro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: N-[2,4-dichloro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
• PubChem CID: 45139569
• Molecular Formula: C20H11Cl2F3N4O4
• Molecular Weight: 499.23 g/mol
• Exact Mass: 498.01
• IUPAC Name: N-[2,4-dichloro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide
• SMILES: O=C(Nc1cc(Oc2ccnc3[nH]c(=O)[nH]c23)c(Cl)cc1Cl)c1cccc(OC(F)(F)F)c1
• InChI: InChI=1S/C20H11Cl2F3N4O4/c21-11-7-12(22)15(32-14-4-5-26-17-16(14)28-19(31)29-17)8-13(11)27-18(30)9-2-1-3-10(6-9)33-20(23,24)25/h1-8H,(H,27,30)(H2,26,28,29,31)
• InChIKey: IEJPCYURSAOBCK-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 109.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.23
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?

The IUPAC name of N-[2,4-dichloro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide (CID 45139569) is N-[2,4-dichloro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide.

What is the SMILES notation for N-[2,4-dichloro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?

The canonical SMILES for N-[2,4-dichloro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide is O=C(Nc1cc(Oc2ccnc3[nH]c(=O)[nH]c23)c(Cl)cc1Cl)c1cccc(OC(F)(F)F)c1.

What is the InChIKey of N-[2,4-dichloro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?

The InChIKey is IEJPCYURSAOBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F3N4O4/c21-11-7-12(22)15(32-14-4-5-26-17-16(14)28-19(31)29-17)8-13(11)27-18(30)9-2-1-3-10(6-9)33-20(23,24)25/h1-8H,(H,27,30)(H2,26,28,29,31).

What are the key properties of N-[2,4-dichloro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide?

N-[2,4-dichloro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 499.23 g/mol, XLogP of 5.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-dichloro-5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 45139569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).