5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one

C21H18F3N3O — CID 70916373

IUPAC5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one
SMILESCCn1c(-c2ccc(F)cc2)nc2c1C(=O)N(Cc1cc(F)ccc1F)CC2
InChIInChI=1S/C21H18F3N3O/c1-2-27-19-18(25-20(27)13-3-5-15(22)6-4-13)9-10-26(21(19)28)12-14-11-16(23)7-8-17(14)24/h3-8,11H,2,9-10,12H2,1H3
InChIKeyDKKKWZOSBDRNPT-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.19
Rot. Bonds4

About 5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one

5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one (PubChem CID 70916373) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is 5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one
PubChem CID70916373
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC Name5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one
SMILESCCn1c(-c2ccc(F)cc2)nc2c1C(=O)N(Cc1cc(F)ccc1F)CC2
InChIInChI=1S/C21H18F3N3O/c1-2-27-19-18(25-20(27)13-3-5-15(22)6-4-13)9-10-26(21(19)28)12-14-11-16(23)7-8-17(14)24/h3-8,11H,2,9-10,12H2,1H3
InChIKeyDKKKWZOSBDRNPT-UHFFFAOYSA-N
XLogP4.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,5-difluorophenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64884738
2-[(2,5-difluorophenyl)methyl]-7-iodo-3,4-dihydroisoquinolin-1-one
CID 79781440
2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 171146425
1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507456
1-[(2,5-difluorophenyl)methyl]-3-ethyl-3-methylpiperazine-2,5-dione
CID 64884495
N-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide
CID 52906227
2-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-4-fluorobenzonitrile
CID 107902993
2-ethyl-1,4-difluorobenzene
CID 23202513
6-[(2,5-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135674509
3-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 105375827
3-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-4-fluorobenzenecarbothioamide
CID 29274230
5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 143944200

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one (CID 70916373) is 5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one is CCn1c(-c2ccc(F)cc2)nc2c1C(=O)N(Cc1cc(F)ccc1F)CC2.
What is the InChIKey of 5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one?
The InChIKey is DKKKWZOSBDRNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c1-2-27-19-18(25-20(27)13-3-5-15(22)6-4-13)9-10-26(21(19)28)12-14-11-16(23)7-8-17(14)24/h3-8,11H,2,9-10,12H2,1H3.
What are the key properties of 5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one?
5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one has a molecular weight of 385.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorophenyl)methyl]-3-ethyl-2-(4-fluorophenyl)-6,7-dihydroimidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 70916373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).