7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C20H16F3N3O2 — CID 45496047

IUPAC7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccccc1C1CC(=O)Nc2c1ncn2-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O2/c1-28-16-8-3-2-7-14(16)15-10-17(27)25-19-18(15)24-11-26(19)13-6-4-5-12(9-13)20(21,22)23/h2-9,11,15H,10H2,1H3,(H,25,27)
InChIKeyUFLNRPGUEFZOHI-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.37
Rot. Bonds3

About 7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 45496047) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID45496047
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccccc1C1CC(=O)Nc2c1ncn2-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O2/c1-28-16-8-3-2-7-14(16)15-10-17(27)25-19-18(15)24-11-26(19)13-6-4-5-12(9-13)20(21,22)23/h2-9,11,15H,10H2,1H3,(H,25,27)
InChIKeyUFLNRPGUEFZOHI-UHFFFAOYSA-N
XLogP4.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one with MolForge

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Related Compounds

(7R)-7-(2,3-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51721915
3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45493620
(7S)-7-(2-chlorophenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719484
3-(3-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 45495956
(7R)-3-(4-methoxyphenyl)-7-(2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719691
(7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51688581
(7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39348703
(7R)-7-(2,3-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720425
(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046577
(7R)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046581
(7R)-3-(4-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720291
(7S)-7-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720187

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of 7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 45496047) is 7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for 7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for 7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1ccccc1C1CC(=O)Nc2c1ncn2-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is UFLNRPGUEFZOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-28-16-8-3-2-7-14(16)15-10-17(27)25-19-18(15)24-11-26(19)13-6-4-5-12(9-13)20(21,22)23/h2-9,11,15H,10H2,1H3,(H,25,27).
What are the key properties of 7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 387.36 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 45496047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).