7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C20H18FN3O3 — CID 45491419

IUPAC7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccc(C2CC(=O)Nc3c2ncn3-c2ccccc2F)cc1OC
InChIInChI=1S/C20H18FN3O3/c1-26-16-8-7-12(9-17(16)27-2)13-10-18(25)23-20-19(13)22-11-24(20)15-6-4-3-5-14(15)21/h3-9,11,13H,10H2,1-2H3,(H,23,25)
InChIKeyFORICWQEFYAXOT-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.50
Rot. Bonds4

About 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 45491419) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID45491419
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccc(C2CC(=O)Nc3c2ncn3-c2ccccc2F)cc1OC
InChIInChI=1S/C20H18FN3O3/c1-26-16-8-7-12(9-17(16)27-2)13-10-18(25)23-20-19(13)22-11-24(20)15-6-4-3-5-14(15)21/h3-9,11,13H,10H2,1-2H3,(H,23,25)
InChIKeyFORICWQEFYAXOT-UHFFFAOYSA-N
XLogP3.50
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[5-[(7S)-3-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]-2-methoxyphenoxy]acetamide
CID 51973055
(7S)-7-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51719086
(7R)-7-(2,3-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720425
(7S)-7-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720187
(7S)-7-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51802228
7-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 42647913
(7S)-3-(2,5-dimethoxyphenyl)-7-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51974297
(7R)-3-(2,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51973128
(7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39348703
(7S)-3-(4-methoxyphenyl)-7-(3-methoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51718140
(7S)-7-(3,4-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51716825
(7S)-3-(2-chlorophenyl)-7-(2,5-dimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51717709

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 45491419) is 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1ccc(C2CC(=O)Nc3c2ncn3-c2ccccc2F)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is FORICWQEFYAXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-26-16-8-7-12(9-17(16)27-2)13-10-18(25)23-20-19(13)22-11-24(20)15-6-4-3-5-14(15)21/h3-9,11,13H,10H2,1-2H3,(H,23,25).
What are the key properties of 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 367.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-3-(2-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 45491419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).