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

C25H24F4N6O4S — CID 167251218

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

6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide (PubChem CID 167251218) has the molecular formula C25H24F4N6O4S and a molecular weight of 580.56 g/mol. Its IUPAC name is 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide
• PubChem CID: 167251218
• Molecular Formula: C25H24F4N6O4S
• Molecular Weight: 580.56 g/mol
• Exact Mass: 580.15
• IUPAC Name: 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide
• SMILES: COc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NCCCN(C)C)[nH]nc3c2F)c1F
• InChI: InChI=1S/C25H24F4N6O4S/c1-35(2)10-4-9-30-24(36)23-15-6-5-14(20(28)22(15)32-33-23)19-16(27)7-8-17(21(19)29)34-40(37,38)18-11-13(26)12-31-25(18)39-3/h5-8,11-12,34H,4,9-10H2,1-3H3,(H,30,36)(H,32,33)
• InChIKey: LSSYPUMFHYHJQT-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 129.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.56
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide (CID 167251218) is 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide.

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

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

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

The InChIKey is LSSYPUMFHYHJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N6O4S/c1-35(2)10-4-9-30-24(36)23-15-6-5-14(20(28)22(15)32-33-23)19-16(27)7-8-17(21(19)29)34-40(37,38)18-11-13(26)12-31-25(18)39-3/h5-8,11-12,34H,4,9-10H2,1-3H3,(H,30,36)(H,32,33).

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

6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide has a molecular weight of 580.56 g/mol, XLogP of 3.67, 10 rotatable bonds, 3 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-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide is sourced from PubChem (CID 167251218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).