3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile

C24H14F3N5O2S — CID 167673307

IUPAC3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile
SMILESN#Cc1cccc(S(=O)(=O)Cc2ccc(F)c(-c3ccc4c(-c5ncc[nH]5)[nH]nc4c3F)c2F)c1
InChIInChI=1S/C24H14F3N5O2S/c25-18-7-4-14(12-35(33,34)15-3-1-2-13(10-15)11-28)20(26)19(18)16-5-6-17-22(21(16)27)31-32-23(17)24-29-8-9-30-24/h1-10H,12H2,(H,29,30)(H,31,32)
InChIKeyULGUMKWNRDXEPI-UHFFFAOYSA-N
MW493.47 g/mol
LogP4.88
Rot. Bonds5

About 3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile

3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile (PubChem CID 167673307) has the molecular formula C24H14F3N5O2S and a molecular weight of 493.47 g/mol. Its IUPAC name is 3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile.

Molecular Properties

Compound Name3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile
PubChem CID167673307
Molecular FormulaC24H14F3N5O2S
Molecular Weight493.47 g/mol
Exact Mass493.08
IUPAC Name3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile
SMILESN#Cc1cccc(S(=O)(=O)Cc2ccc(F)c(-c3ccc4c(-c5ncc[nH]5)[nH]nc4c3F)c2F)c1
InChIInChI=1S/C24H14F3N5O2S/c25-18-7-4-14(12-35(33,34)15-3-1-2-13(10-15)11-28)20(26)19(18)16-5-6-17-22(21(16)27)31-32-23(17)24-29-8-9-30-24/h1-10H,12H2,(H,29,30)(H,31,32)
InChIKeyULGUMKWNRDXEPI-UHFFFAOYSA-N
XLogP4.88
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.47
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile?
The IUPAC name of 3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile (CID 167673307) is 3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile.
What is the SMILES notation for 3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile?
The canonical SMILES for 3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile is N#Cc1cccc(S(=O)(=O)Cc2ccc(F)c(-c3ccc4c(-c5ncc[nH]5)[nH]nc4c3F)c2F)c1.
What is the InChIKey of 3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile?
The InChIKey is ULGUMKWNRDXEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3N5O2S/c25-18-7-4-14(12-35(33,34)15-3-1-2-13(10-15)11-28)20(26)19(18)16-5-6-17-22(21(16)27)31-32-23(17)24-29-8-9-30-24/h1-10H,12H2,(H,29,30)(H,31,32).
What are the key properties of 3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile?
3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile has a molecular weight of 493.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]methylsulfonyl]benzonitrile is sourced from PubChem (CID 167673307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).