2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol

C22H21F2N5O3 — CID 122605388

About 2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol

2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol (PubChem CID 122605388) has the molecular formula C22H21F2N5O3 and a molecular weight of 441.44 g/mol. Its IUPAC name is 2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol
• PubChem CID: 122605388
• Molecular Formula: C22H21F2N5O3
• Molecular Weight: 441.44 g/mol
• Exact Mass: 441.16
• IUPAC Name: 2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol
• SMILES: COc1cc(C)c(F)c(COc2cnc(Nc3ccc4cnn(CCO)c4c3)nc2)c1F
• InChI: InChI=1S/C22H21F2N5O3/c1-13-7-19(31-2)21(24)17(20(13)23)12-32-16-10-25-22(26-11-16)28-15-4-3-14-9-27-29(5-6-30)18(14)8-15/h3-4,7-11,30H,5-6,12H2,1-2H3,(H,25,26,28)
• InChIKey: FTHZAUDRCIZBCZ-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 94.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.44
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol?

The IUPAC name of 2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol (CID 122605388) is 2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol.

What is the SMILES notation for 2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol?

The canonical SMILES for 2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol is COc1cc(C)c(F)c(COc2cnc(Nc3ccc4cnn(CCO)c4c3)nc2)c1F.

What is the InChIKey of 2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol?

The InChIKey is FTHZAUDRCIZBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O3/c1-13-7-19(31-2)21(24)17(20(13)23)12-32-16-10-25-22(26-11-16)28-15-4-3-14-9-27-29(5-6-30)18(14)8-15/h3-4,7-11,30H,5-6,12H2,1-2H3,(H,25,26,28).

What are the key properties of 2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol?

2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol has a molecular weight of 441.44 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[5-[(2,6-difluoro-3-methoxy-5-methylphenyl)methoxy]pyrimidin-2-yl]amino]indazol-1-yl]ethanol is sourced from PubChem (CID 122605388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).