6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one

C25H16F4N4O3S — CID 167695891

IUPAC6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one
SMILESCc1ncc(F)cc1S(=O)(=O)Cc1ccc(F)c(-c2ccc3c(-c4cccc(=O)[nH]4)[nH]nc3c2F)c1F
InChIInChI=1S/C25H16F4N4O3S/c1-12-19(9-14(26)10-30-12)37(35,36)11-13-5-8-17(27)21(22(13)28)15-6-7-16-24(32-33-25(16)23(15)29)18-3-2-4-20(34)31-18/h2-10H,11H2,1H3,(H,31,34)(H,32,33)
InChIKeyXQOAIYJUAMGDLQ-UHFFFAOYSA-N
MW528.49 g/mol
LogP4.82
Rot. Bonds5

About 6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one

6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one (PubChem CID 167695891) has the molecular formula C25H16F4N4O3S and a molecular weight of 528.49 g/mol. Its IUPAC name is 6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one
PubChem CID167695891
Molecular FormulaC25H16F4N4O3S
Molecular Weight528.49 g/mol
Exact Mass528.09
IUPAC Name6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one
SMILESCc1ncc(F)cc1S(=O)(=O)Cc1ccc(F)c(-c2ccc3c(-c4cccc(=O)[nH]4)[nH]nc3c2F)c1F
InChIInChI=1S/C25H16F4N4O3S/c1-12-19(9-14(26)10-30-12)37(35,36)11-13-5-8-17(27)21(22(13)28)15-6-7-16-24(32-33-25(16)23(15)29)18-3-2-4-20(34)31-18/h2-10H,11H2,1H3,(H,31,34)(H,32,33)
InChIKeyXQOAIYJUAMGDLQ-UHFFFAOYSA-N
XLogP4.82
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.49
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one 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 6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one (CID 167695891) is 6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one is Cc1ncc(F)cc1S(=O)(=O)Cc1ccc(F)c(-c2ccc3c(-c4cccc(=O)[nH]4)[nH]nc3c2F)c1F.
What is the InChIKey of 6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one?
The InChIKey is XQOAIYJUAMGDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F4N4O3S/c1-12-19(9-14(26)10-30-12)37(35,36)11-13-5-8-17(27)21(22(13)28)15-6-7-16-24(32-33-25(16)23(15)29)18-3-2-4-20(34)31-18/h2-10H,11H2,1H3,(H,31,34)(H,32,33).
What are the key properties of 6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one?
6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one has a molecular weight of 528.49 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-2H-indazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 167695891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).