6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide

C24H17F4N7O4S — CID 167251195

About 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide

6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide (PubChem CID 167251195) has the molecular formula C24H17F4N7O4S and a molecular weight of 575.50 g/mol. Its IUPAC name is 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
• PubChem CID: 167251195
• Molecular Formula: C24H17F4N7O4S
• Molecular Weight: 575.50 g/mol
• Exact Mass: 575.10
• IUPAC Name: 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
• SMILES: COc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)Nc4cnn(C)c4)[nH]nc3c2F)c1F
• InChI: InChI=1S/C24H17F4N7O4S/c1-35-10-12(9-30-35)31-23(36)22-14-4-3-13(19(27)21(14)32-33-22)18-15(26)5-6-16(20(18)28)34-40(37,38)17-7-11(25)8-29-24(17)39-2/h3-10,34H,1-2H3,(H,31,36)(H,32,33)
• InChIKey: SOMAYLPWVQVGGT-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 143.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.50
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	3
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-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide?

The IUPAC name of 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide (CID 167251195) is 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide?

The canonical SMILES for 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide is COc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)Nc4cnn(C)c4)[nH]nc3c2F)c1F.

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

The InChIKey is SOMAYLPWVQVGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N7O4S/c1-35-10-12(9-30-35)31-23(36)22-14-4-3-13(19(27)21(14)32-33-22)18-15(26)5-6-16(20(18)28)34-40(37,38)17-7-11(25)8-29-24(17)39-2/h3-10,34H,1-2H3,(H,31,36)(H,32,33).

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

6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide has a molecular weight of 575.50 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 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-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide is sourced from PubChem (CID 167251195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).