2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide

C19H18F4N4O — CID 146283885

IUPAC2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCc1cc(F)cc(C(F)(F)F)c1Nc1nccc2c1ccn2CC(=O)N(C)C
InChIInChI=1S/C19H18F4N4O/c1-11-8-12(20)9-14(19(21,22)23)17(11)25-18-13-5-7-27(10-16(28)26(2)3)15(13)4-6-24-18/h4-9H,10H2,1-3H3,(H,24,25)
InChIKeyXSBOFPXSVLSSOW-UHFFFAOYSA-N
MW394.37 g/mol
LogP4.33
Rot. Bonds4

About 2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide

2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide (PubChem CID 146283885) has the molecular formula C19H18F4N4O and a molecular weight of 394.37 g/mol. Its IUPAC name is 2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
PubChem CID146283885
Molecular FormulaC19H18F4N4O
Molecular Weight394.37 g/mol
Exact Mass394.14
IUPAC Name2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCc1cc(F)cc(C(F)(F)F)c1Nc1nccc2c1ccn2CC(=O)N(C)C
InChIInChI=1S/C19H18F4N4O/c1-11-8-12(20)9-14(19(21,22)23)17(11)25-18-13-5-7-27(10-16(28)26(2)3)15(13)4-6-24-18/h4-9H,10H2,1-3H3,(H,24,25)
InChIKeyXSBOFPXSVLSSOW-UHFFFAOYSA-N
XLogP4.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[4-[2-fluoro-6-methyl-4-(trifluoromethyl)anilino]imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 156521862
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
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol
CID 146288476
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;(2S)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;methane
CID 158234871
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
N,N-dimethyl-2-[4-[[2-methyl-6-propan-2-yl-4-(trifluoromethoxy)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide
CID 161271654
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-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 158557883

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide (CID 146283885) is 2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide is Cc1cc(F)cc(C(F)(F)F)c1Nc1nccc2c1ccn2CC(=O)N(C)C.
What is the InChIKey of 2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide?
The InChIKey is XSBOFPXSVLSSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4O/c1-11-8-12(20)9-14(19(21,22)23)17(11)25-18-13-5-7-27(10-16(28)26(2)3)15(13)4-6-24-18/h4-9H,10H2,1-3H3,(H,24,25).
What are the key properties of 2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide?
2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide has a molecular weight of 394.37 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 146283885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).