2,6-difluoro-3-[6-fluoro-3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)indazol-1-yl]-5-(trifluoromethyl)phenol

C21H17F6N3O2 — CID 163234119

IUPAC2,6-difluoro-3-[6-fluoro-3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)indazol-1-yl]-5-(trifluoromethyl)phenol
SMILESCc1nn(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2cc(F)c(N3CCOCC34CC4)cc12
InChIInChI=1S/C21H17F6N3O2/c1-10-11-6-15(29-4-5-32-9-20(29)2-3-20)13(22)8-14(11)30(28-10)16-7-12(21(25,26)27)17(23)19(31)18(16)24/h6-8,31H,2-5,9H2,1H3
InChIKeyXNUFNOBWHWMEGS-UHFFFAOYSA-N
MW457.37 g/mol
LogP4.84
Rot. Bonds2

About 2,6-difluoro-3-[6-fluoro-3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)indazol-1-yl]-5-(trifluoromethyl)phenol

2,6-difluoro-3-[6-fluoro-3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)indazol-1-yl]-5-(trifluoromethyl)phenol (PubChem CID 163234119) has the molecular formula C21H17F6N3O2 and a molecular weight of 457.37 g/mol. Its IUPAC name is 2,6-difluoro-3-[6-fluoro-3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)indazol-1-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2,6-difluoro-3-[6-fluoro-3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)indazol-1-yl]-5-(trifluoromethyl)phenol
PubChem CID163234119
Molecular FormulaC21H17F6N3O2
Molecular Weight457.37 g/mol
Exact Mass457.12
IUPAC Name2,6-difluoro-3-[6-fluoro-3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)indazol-1-yl]-5-(trifluoromethyl)phenol
SMILESCc1nn(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2cc(F)c(N3CCOCC34CC4)cc12
InChIInChI=1S/C21H17F6N3O2/c1-10-11-6-15(29-4-5-32-9-20(29)2-3-20)13(22)8-14(11)30(28-10)16-7-12(21(25,26)27)17(23)19(31)18(16)24/h6-8,31H,2-5,9H2,1H3
InChIKeyXNUFNOBWHWMEGS-UHFFFAOYSA-N
XLogP4.84
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-Difluoro-3-(4-fluoro-3-methyl-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-indazol-1-yl)-5-(trifluoromethyl)phenol
CID 163233816
2,6-Difluoro-3-(3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)-1H-indazol-1-yl)-5-(trifluoromethyl)phenol
CID 163233838
2,6-Difluoro-3-(5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-3-(trifluoromethyl)-1H-indazol-1-yl)-5-(trifluoromethyl)phenol
CID 163233848
2-Fluoro-5-(6-fluoro-3-methyl-5-(7-(methylsulfonyl)-4,7-diazaspiro[2.5]octan-4-yl)-1H-indazol-1-yl)phenol
CID 163233853
3-(3-Amino-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-indazol-1-yl)-2,6-difluoro-5-(trifluoromethyl)phenol
CID 163233867
2,3-Difluoro-5-(5-(4-methoxypiperidin-1-yl)-1H-indazol-1-yl)phenol
CID 163233879
3-(3-Cyclopropyl-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-indazol-1-yl)-2,6-difluoro-5-(trifluoromethyl)phenol
CID 163233904
5-(3-Cyclopropyl-5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-2,3-difluorophenol
CID 163233943
1-(2,4-Difluoro-3-hydroxy-5-(trifluoromethyl)phenyl)-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-indazole-3-carbonitrile
CID 163233996
2,6-Difluoro-3-(3-fluoro-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-indazol-1-yl)-5-(trifluoromethyl)phenol
CID 163233998
2,3-Difluoro-5-(5-(3-methoxyazetidin-1-yl)-1H-indazol-1-yl)phenol
CID 163234014
2-Fluoro-5-(6-fluoro-5-(4-(methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-3-(trifluoromethyl)phenol
CID 163234015

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[6-fluoro-3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)indazol-1-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2,6-difluoro-3-[6-fluoro-3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)indazol-1-yl]-5-(trifluoromethyl)phenol (CID 163234119) is 2,6-difluoro-3-[6-fluoro-3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)indazol-1-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2,6-difluoro-3-[6-fluoro-3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)indazol-1-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2,6-difluoro-3-[6-fluoro-3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)indazol-1-yl]-5-(trifluoromethyl)phenol is Cc1nn(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2cc(F)c(N3CCOCC34CC4)cc12.
What is the InChIKey of 2,6-difluoro-3-[6-fluoro-3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)indazol-1-yl]-5-(trifluoromethyl)phenol?
The InChIKey is XNUFNOBWHWMEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F6N3O2/c1-10-11-6-15(29-4-5-32-9-20(29)2-3-20)13(22)8-14(11)30(28-10)16-7-12(21(25,26)27)17(23)19(31)18(16)24/h6-8,31H,2-5,9H2,1H3.
What are the key properties of 2,6-difluoro-3-[6-fluoro-3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)indazol-1-yl]-5-(trifluoromethyl)phenol?
2,6-difluoro-3-[6-fluoro-3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)indazol-1-yl]-5-(trifluoromethyl)phenol has a molecular weight of 457.37 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[6-fluoro-3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)indazol-1-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 163234119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).