2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide

C18H17F4N5O — CID 156521862

IUPAC2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCc1cc(C(F)(F)F)cc(F)c1Nc1nccc2c1ncn2CC(=O)N(C)C
InChIInChI=1S/C18H17F4N5O/c1-10-6-11(18(20,21)22)7-12(19)15(10)25-17-16-13(4-5-23-17)27(9-24-16)8-14(28)26(2)3/h4-7,9H,8H2,1-3H3,(H,23,25)
InChIKeyDGGMPWYVGDSGJL-UHFFFAOYSA-N
MW395.36 g/mol
LogP3.73
Rot. Bonds4

About 2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide

2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide (PubChem CID 156521862) has the molecular formula C18H17F4N5O and a molecular weight of 395.36 g/mol. Its IUPAC name is 2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
PubChem CID156521862
Molecular FormulaC18H17F4N5O
Molecular Weight395.36 g/mol
Exact Mass395.14
IUPAC Name2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCc1cc(C(F)(F)F)cc(F)c1Nc1nccc2c1ncn2CC(=O)N(C)C
InChIInChI=1S/C18H17F4N5O/c1-10-6-11(18(20,21)22)7-12(19)15(10)25-17-16-13(4-5-23-17)27(9-24-16)8-14(28)26(2)3/h4-7,9H,8H2,1-3H3,(H,23,25)
InChIKeyDGGMPWYVGDSGJL-UHFFFAOYSA-N
XLogP3.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[4-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]imidazo[4,5-c]pyridin-1-yl]acetamide
CID 156521753
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 156522188
2-[4-[[1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]amino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 156521871
N-(2,4-difluoro-6-methylphenyl)-1-(2,2-difluoropropyl)imidazo[4,5-c]pyridin-4-amine
CID 156521786
2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 146283885
N,N-dimethyl-2-[4-[[3-methyl-5-(trifluoromethyl)-4-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]acetamide
CID 146283914
2-[4-(2,4-difluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376780
2-[4-[(2,2-difluoro-5-methyl-1,3-benzodioxol-4-yl)amino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 146283900
N,N-dimethyl-2-[4-[2-methyl-4-(1-methylpyrazol-4-yl)-6-propan-2-ylanilino]pyrrolo[3,2-c]pyridin-1-yl]acetamide
CID 146283990
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385715
1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine
CID 162002734
2-[4-(2-chloro-3-fluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376821

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide (CID 156521862) is 2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide is Cc1cc(C(F)(F)F)cc(F)c1Nc1nccc2c1ncn2CC(=O)N(C)C.
What is the InChIKey of 2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide?
The InChIKey is DGGMPWYVGDSGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N5O/c1-10-6-11(18(20,21)22)7-12(19)15(10)25-17-16-13(4-5-23-17)27(9-24-16)8-14(28)26(2)3/h4-7,9H,8H2,1-3H3,(H,23,25).
What are the key properties of 2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide?
2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide has a molecular weight of 395.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 156521862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).