6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide

C24H21F4N5O6S — CID 167251230

About 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide

6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide (PubChem CID 167251230) has the molecular formula C24H21F4N5O6S and a molecular weight of 583.52 g/mol. Its IUPAC name is 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide
• PubChem CID: 167251230
• Molecular Formula: C24H21F4N5O6S
• Molecular Weight: 583.52 g/mol
• Exact Mass: 583.11
• IUPAC Name: 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide
• SMILES: COc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NCC(CO)CO)[nH]nc3c2F)c1F
• InChI: InChI=1S/C24H21F4N5O6S/c1-39-24-17(6-12(25)8-30-24)40(37,38)33-16-5-4-15(26)18(20(16)28)13-2-3-14-21(19(13)27)31-32-22(14)23(36)29-7-11(9-34)10-35/h2-6,8,11,33-35H,7,9-10H2,1H3,(H,29,36)(H,31,32)
• InChIKey: QJJAXGMXPHMBIS-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 166.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.52
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide?

The IUPAC name of 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide (CID 167251230) is 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide.

What is the SMILES notation for 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide?

The canonical SMILES for 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide is COc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NCC(CO)CO)[nH]nc3c2F)c1F.

What is the InChIKey of 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide?

The InChIKey is QJJAXGMXPHMBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N5O6S/c1-39-24-17(6-12(25)8-30-24)40(37,38)33-16-5-4-15(26)18(20(16)28)13-2-3-14-21(19(13)27)31-32-22(14)23(36)29-7-11(9-34)10-35/h2-6,8,11,33-35H,7,9-10H2,1H3,(H,29,36)(H,31,32).

What are the key properties of 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide?

6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide has a molecular weight of 583.52 g/mol, XLogP of 2.32, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2H-indazole-3-carboxamide is sourced from PubChem (CID 167251230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).