N-[5-[4-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C29H28F2N6O5S — CID 75292864

About N-[5-[4-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-[4-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 75292864) has the molecular formula C29H28F2N6O5S and a molecular weight of 610.64 g/mol. Its IUPAC name is N-[5-[4-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

• Compound Name: N-[5-[4-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
• PubChem CID: 75292864
• Molecular Formula: C29H28F2N6O5S
• Molecular Weight: 610.64 g/mol
• Exact Mass: 610.18
• IUPAC Name: N-[5-[4-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
• SMILES: COc1ncc(-c2cc(-c3ncc(CN4CC(C)OC(C)C4)o3)c3cn[nH]c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
• InChI: InChI=1S/C29H28F2N6O5S/c1-16-13-37(14-17(2)41-16)15-21-11-33-28(42-21)22-6-18(7-25-23(22)12-34-35-25)19-8-26(29(40-3)32-10-19)36-43(38,39)27-5-4-20(30)9-24(27)31/h4-12,16-17,36H,13-15H2,1-3H3,(H,34,35)
• InChIKey: XKTYUDPOFFQXQD-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 135.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.64
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?

The IUPAC name of N-[5-[4-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 75292864) is N-[5-[4-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

What is the SMILES notation for N-[5-[4-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?

The canonical SMILES for N-[5-[4-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ncc(-c2cc(-c3ncc(CN4CC(C)OC(C)C4)o3)c3cn[nH]c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.

What is the InChIKey of N-[5-[4-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?

The InChIKey is XKTYUDPOFFQXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N6O5S/c1-16-13-37(14-17(2)41-16)15-21-11-33-28(42-21)22-6-18(7-25-23(22)12-34-35-25)19-8-26(29(40-3)32-10-19)36-43(38,39)27-5-4-20(30)9-24(27)31/h4-12,16-17,36H,13-15H2,1-3H3,(H,34,35).

What are the key properties of N-[5-[4-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?

N-[5-[4-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 610.64 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-[5-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-oxazol-2-yl]-1H-indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 75292864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).