2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide

C17H16F2N4O2 — CID 134490126

IUPAC2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(=O)n(C)c2ncc(-c3ccc(F)c(F)c3)cc21
InChIInChI=1S/C17H16F2N4O2/c1-21(2)15(24)9-23-14-7-11(8-20-16(14)22(3)17(23)25)10-4-5-12(18)13(19)6-10/h4-8H,9H2,1-3H3
InChIKeyDQVOKXODALPJPQ-UHFFFAOYSA-N
MW346.34 g/mol
LogP1.77
Rot. Bonds3

About 2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide

2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide (PubChem CID 134490126) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide
PubChem CID134490126
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(=O)n(C)c2ncc(-c3ccc(F)c(F)c3)cc21
InChIInChI=1S/C17H16F2N4O2/c1-21(2)15(24)9-23-14-7-11(8-20-16(14)22(3)17(23)25)10-4-5-12(18)13(19)6-10/h4-8H,9H2,1-3H3
InChIKeyDQVOKXODALPJPQ-UHFFFAOYSA-N
XLogP1.77
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[3-methyl-6-(5-methylthiophen-2-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 134489939
2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide
CID 134489889
N,N-dimethyl-2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetamide
CID 134493680
6-(4-fluoro-3-methylphenyl)-3-methyl-1-(pyrimidin-5-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 134489949
N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 664799
ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate
CID 155389923
2-[2-(4-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide
CID 23037362
N-ethyl-2-[2-(4-fluorophenyl)-9-methyl-8-oxopurin-7-yl]-N-phenylacetamide
CID 22617792
ethyl 2-[3-methyl-2-oxo-6-[5-(trifluoromethyl)thiophen-2-yl]imidazo[4,5-b]pyridin-1-yl]acetate
CID 140869572
6-(3-amino-4-fluorophenyl)-3-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-2-oxoethyl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 91338533
2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxopyrimido[4,5-d]pyrimidin-3-yl]-N-methyl-N-(2-methylphenyl)acetamide
CID 53116249
N-cyclopropyl-2-[6-(4-fluoro-2-methylphenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 134489943

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide (CID 134490126) is 2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1c(=O)n(C)c2ncc(-c3ccc(F)c(F)c3)cc21.
What is the InChIKey of 2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide?
The InChIKey is DQVOKXODALPJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2/c1-21(2)15(24)9-23-14-7-11(8-20-16(14)22(3)17(23)25)10-4-5-12(18)13(19)6-10/h4-8H,9H2,1-3H3.
What are the key properties of 2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide?
2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide has a molecular weight of 346.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-difluorophenyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 134490126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).