6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

C22H18F4N6O2S — CID 77181718

IUPAC6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1cnn(C)c1
InChIInChI=1S/C22H18F4N6O2S/c1-12-6-20-16(7-18(12)23)17(8-27)21(32(20)14-9-29-31(3)11-14)19-5-4-15(10-28-19)35(33,34)30-13(2)22(24,25)26/h4-7,9-11,13,30H,1-3H3
InChIKeyCFNULZSGAZOIHU-UHFFFAOYSA-N
MW506.49 g/mol
LogP3.97
Rot. Bonds5

About 6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 77181718) has the molecular formula C22H18F4N6O2S and a molecular weight of 506.49 g/mol. Its IUPAC name is 6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID77181718
Molecular FormulaC22H18F4N6O2S
Molecular Weight506.49 g/mol
Exact Mass506.11
IUPAC Name6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1cnn(C)c1
InChIInChI=1S/C22H18F4N6O2S/c1-12-6-20-16(7-18(12)23)17(8-27)21(32(20)14-9-29-31(3)11-14)19-5-4-15(10-28-19)35(33,34)30-13(2)22(24,25)26/h4-7,9-11,13,30H,1-3H3
InChIKeyCFNULZSGAZOIHU-UHFFFAOYSA-N
XLogP3.97
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide 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

(S)-6-(3-cyano-6-ethyl-5-fluoro-1-(pyrimidin-2-yl)-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CID 66731056
6-(3-cyano-1-cyclobutyl-6-cyclopropyl-indol-2-yl)-N-isopropyl-pyridine-3-sulfonamide
CID 46937631
6-(3-cyano-1-cyclobutyl-6-cyclopropyl-indol-2-yl)-N-[2-fluoro-1-(fluoromethyl)ethyl]pyridine-3-sulfonamide
CID 46938198
6-(3-cyano-1-cyclobutyl-5-fluoro-indol-2-yl)-N-isopropyl-pyridine-3-sulfonamide
CID 46938201
6-(3-cyano-1-cyclobutyl-6-methyl-pyrrolo[3,2-c]pyridin-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 49782679
1-cyclopentyl-N-[(2S)-1-[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 57690900
6-(3-cyano-5-fluoro-6-methyl-1-pyrimidin-2-yl-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66730677
6-(3-cyano-1-cyclobutyl-6-cyclopropyl-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66730741
6-(3-cyano-1-cyclobutyl-5-fluoro-6-methyl-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66730810
6-[3-cyano-5-fluoro-6-methyl-1-(3-pyridyl)indol-2-yl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66730850
6-[3-cyano-6-ethyl-5-fluoro-1-(5-methylpyrimidin-2-yl)indol-2-yl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66730868
6-(3-cyano-1-cyclobutyl-6-ethyl-5-fluoro-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66730917

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 77181718) is 6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1cnn(C)c1.
What is the InChIKey of 6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is CFNULZSGAZOIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N6O2S/c1-12-6-20-16(7-18(12)23)17(8-27)21(32(20)14-9-29-31(3)11-14)19-5-4-15(10-28-19)35(33,34)30-13(2)22(24,25)26/h4-7,9-11,13,30H,1-3H3.
What are the key properties of 6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 506.49 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-5-fluoro-6-methyl-1-(1-methylpyrazol-4-yl)indol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 77181718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).