7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C20H16F3N3O3 — CID 91972597

IUPAC7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccc(C2CC(=O)Nc3ncn(-c4cccc(C(F)(F)F)c4)c32)cc1O
InChIInChI=1S/C20H16F3N3O3/c1-29-16-6-5-11(7-15(16)27)14-9-17(28)25-19-18(14)26(10-24-19)13-4-2-3-12(8-13)20(21,22)23/h2-8,10,14,27H,9H2,1H3,(H,25,28)
InChIKeyHEDGKKWENXASIJ-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.08
Rot. Bonds3

About 7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 91972597) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID91972597
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccc(C2CC(=O)Nc3ncn(-c4cccc(C(F)(F)F)c4)c32)cc1O
InChIInChI=1S/C20H16F3N3O3/c1-29-16-6-5-11(7-15(16)27)14-9-17(28)25-19-18(14)26(10-24-19)13-4-2-3-12(8-13)20(21,22)23/h2-8,10,14,27H,9H2,1H3,(H,25,28)
InChIKeyHEDGKKWENXASIJ-UHFFFAOYSA-N
XLogP4.08
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of 7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 91972597) is 7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for 7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for 7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1ccc(C2CC(=O)Nc3ncn(-c4cccc(C(F)(F)F)c4)c32)cc1O.
What is the InChIKey of 7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is HEDGKKWENXASIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-29-16-6-5-11(7-15(16)27)14-9-17(28)25-19-18(14)26(10-24-19)13-4-2-3-12(8-13)20(21,22)23/h2-8,10,14,27H,9H2,1H3,(H,25,28).
What are the key properties of 7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 403.36 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxy-4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 91972597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).