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

C25H22F4N6O4S — CID 167251073

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

6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-piperidin-4-yl-2H-indazole-3-carboxamide (PubChem CID 167251073) has the molecular formula C25H22F4N6O4S and a molecular weight of 578.55 g/mol. Its IUPAC name is 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-piperidin-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-piperidin-4-yl-2H-indazole-3-carboxamide
• PubChem CID: 167251073
• Molecular Formula: C25H22F4N6O4S
• Molecular Weight: 578.55 g/mol
• Exact Mass: 578.14
• IUPAC Name: 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-piperidin-4-yl-2H-indazole-3-carboxamide
• SMILES: COc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NC4CCNCC4)[nH]nc3c2F)c1F
• InChI: InChI=1S/C25H22F4N6O4S/c1-39-25-18(10-12(26)11-31-25)40(37,38)35-17-5-4-16(27)19(21(17)29)14-2-3-15-22(20(14)28)33-34-23(15)24(36)32-13-6-8-30-9-7-13/h2-5,10-11,13,30,35H,6-9H2,1H3,(H,32,36)(H,33,34)
• InChIKey: SPVMHLLYRRKSKA-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 138.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.55
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

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-piperidin-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-piperidin-4-yl-2H-indazole-3-carboxamide (CID 167251073) is 6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-piperidin-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-piperidin-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-piperidin-4-yl-2H-indazole-3-carboxamide is COc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(C(=O)NC4CCNCC4)[nH]nc3c2F)c1F.

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

The InChIKey is SPVMHLLYRRKSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N6O4S/c1-39-25-18(10-12(26)11-31-25)40(37,38)35-17-5-4-16(27)19(21(17)29)14-2-3-15-22(20(14)28)33-34-23(15)24(36)32-13-6-8-30-9-7-13/h2-5,10-11,13,30,35H,6-9H2,1H3,(H,32,36)(H,33,34).

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

6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-7-fluoro-N-piperidin-4-yl-2H-indazole-3-carboxamide has a molecular weight of 578.55 g/mol, XLogP of 3.47, 7 rotatable bonds, 4 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]-7-fluoro-N-piperidin-4-yl-2H-indazole-3-carboxamide is sourced from PubChem (CID 167251073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).