6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-N-(1,2-oxazol-4-yl)-2H-indazole-3-carboxamide

C24H15F4N5O4S — CID 167570292

About 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-N-(1,2-oxazol-4-yl)-2H-indazole-3-carboxamide

6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-N-(1,2-oxazol-4-yl)-2H-indazole-3-carboxamide (PubChem CID 167570292) has the molecular formula C24H15F4N5O4S and a molecular weight of 545.47 g/mol. Its IUPAC name is 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-N-(1,2-oxazol-4-yl)-2H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-N-(1,2-oxazol-4-yl)-2H-indazole-3-carboxamide
• PubChem CID: 167570292
• Molecular Formula: C24H15F4N5O4S
• Molecular Weight: 545.47 g/mol
• Exact Mass: 545.08
• IUPAC Name: 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-N-(1,2-oxazol-4-yl)-2H-indazole-3-carboxamide
• SMILES: Cc1ncc(F)cc1S(=O)(=O)Cc1ccc(F)c(-c2ccc3c(C(=O)Nc4cnoc4)[nH]nc3c2F)c1F
• InChI: InChI=1S/C24H15F4N5O4S/c1-11-18(6-13(25)7-29-11)38(35,36)10-12-2-5-17(26)19(20(12)27)15-3-4-16-22(21(15)28)32-33-23(16)24(34)31-14-8-30-37-9-14/h2-9H,10H2,1H3,(H,31,34)(H,32,33)
• InChIKey: FUVOVPMHURBXIF-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 130.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.47
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-N-(1,2-oxazol-4-yl)-2H-indazole-3-carboxamide?

The IUPAC name of 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-N-(1,2-oxazol-4-yl)-2H-indazole-3-carboxamide (CID 167570292) is 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-N-(1,2-oxazol-4-yl)-2H-indazole-3-carboxamide.

What is the SMILES notation for 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-N-(1,2-oxazol-4-yl)-2H-indazole-3-carboxamide?

The canonical SMILES for 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-N-(1,2-oxazol-4-yl)-2H-indazole-3-carboxamide is Cc1ncc(F)cc1S(=O)(=O)Cc1ccc(F)c(-c2ccc3c(C(=O)Nc4cnoc4)[nH]nc3c2F)c1F.

What is the InChIKey of 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-N-(1,2-oxazol-4-yl)-2H-indazole-3-carboxamide?

The InChIKey is FUVOVPMHURBXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F4N5O4S/c1-11-18(6-13(25)7-29-11)38(35,36)10-12-2-5-17(26)19(20(12)27)15-3-4-16-22(21(15)28)32-33-23(16)24(34)31-14-8-30-37-9-14/h2-9H,10H2,1H3,(H,31,34)(H,32,33).

What are the key properties of 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-N-(1,2-oxazol-4-yl)-2H-indazole-3-carboxamide?

6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-N-(1,2-oxazol-4-yl)-2H-indazole-3-carboxamide has a molecular weight of 545.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2,6-difluoro-3-[(5-fluoro-2-methyl-3-pyridinyl)sulfonylmethyl]phenyl]-7-fluoro-N-(1,2-oxazol-4-yl)-2H-indazole-3-carboxamide is sourced from PubChem (CID 167570292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).