3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine

C20H13F5N4O2S — CID 67988119

IUPAC3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3nc(N)c(F)cc3C(F)(F)F)c3cc(F)cnc32)cc1
InChIInChI=1S/C20H13F5N4O2S/c1-10-2-4-12(5-3-10)32(30,31)29-9-14(13-6-11(21)8-27-19(13)29)17-15(20(23,24)25)7-16(22)18(26)28-17/h2-9H,1H3,(H2,26,28)
InChIKeyZMLGNZDPPSFXDZ-UHFFFAOYSA-N
MW468.41 g/mol
LogP4.52
Rot. Bonds3

About 3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine

3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 67988119) has the molecular formula C20H13F5N4O2S and a molecular weight of 468.41 g/mol. Its IUPAC name is 3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID67988119
Molecular FormulaC20H13F5N4O2S
Molecular Weight468.41 g/mol
Exact Mass468.07
IUPAC Name3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3nc(N)c(F)cc3C(F)(F)F)c3cc(F)cnc32)cc1
InChIInChI=1S/C20H13F5N4O2S/c1-10-2-4-12(5-3-10)32(30,31)29-9-14(13-6-11(21)8-27-19(13)29)17-15(20(23,24)25)7-16(22)18(26)28-17/h2-9H,1H3,(H2,26,28)
InChIKeyZMLGNZDPPSFXDZ-UHFFFAOYSA-N
XLogP4.52
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine 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

5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]pyridine-3-carbonitrile
CID 71247623
6-[[(1S,3R)-3-aminocyclohexyl]amino]-5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carbonitrile
CID 86706643
[(2S)-2-[[5-cyano-3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]-3,3-dimethylbutyl] methanesulfonate
CID 86714761
5-bromo-3-(2-fluoro-4-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 135238468
ethyl 3-[[5-cyano-3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]-4,4-dimethylhexanoate
CID 71251266
2-[5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-fluoro-N-methylpyrimidin-4-amine
CID 138646621
5-fluoro-3-[5-fluoro-4-[[(1S,3R)-3-methylcyclohexyl]methyl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 158331964
3-[[5-cyano-3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 67976377
(2S,3S)-3-[[5-fluoro-2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 118085215
(3R)-3-[[2-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]amino]-4,4-dimethylpentanoic acid
CID 71247748
(2S,3R)-3-[[3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 67988199
2-[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]-5-fluoropyrimidin-4-amine
CID 141445922

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine (CID 67988119) is 3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine is Cc1ccc(S(=O)(=O)n2cc(-c3nc(N)c(F)cc3C(F)(F)F)c3cc(F)cnc32)cc1.
What is the InChIKey of 3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZMLGNZDPPSFXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N4O2S/c1-10-2-4-12(5-3-10)32(30,31)29-9-14(13-6-11(21)8-27-19(13)29)17-15(20(23,24)25)7-16(22)18(26)28-17/h2-9H,1H3,(H2,26,28).
What are the key properties of 3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 468.41 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 67988119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).