3-[3-(dimethylamino)-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol

C22H23F5N4O2 — CID 163234129

IUPAC3-[3-(dimethylamino)-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol
SMILESCN(C)c1nn(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2ccc(N(C)C3CCOCC3)cc12
InChIInChI=1S/C22H23F5N4O2/c1-29(2)21-14-10-13(30(3)12-6-8-33-9-7-12)4-5-16(14)31(28-21)17-11-15(22(25,26)27)18(23)20(32)19(17)24/h4-5,10-12,32H,6-9H2,1-3H3
InChIKeyDESIRXUFJYLYCK-UHFFFAOYSA-N
MW470.44 g/mol
LogP4.71
Rot. Bonds4

About 3-[3-(dimethylamino)-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol

3-[3-(dimethylamino)-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol (PubChem CID 163234129) has the molecular formula C22H23F5N4O2 and a molecular weight of 470.44 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-[3-(dimethylamino)-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol
PubChem CID163234129
Molecular FormulaC22H23F5N4O2
Molecular Weight470.44 g/mol
Exact Mass470.17
IUPAC Name3-[3-(dimethylamino)-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol
SMILESCN(C)c1nn(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2ccc(N(C)C3CCOCC3)cc12
InChIInChI=1S/C22H23F5N4O2/c1-29(2)21-14-10-13(30(3)12-6-8-33-9-7-12)4-5-16(14)31(28-21)17-11-15(22(25,26)27)18(23)20(32)19(17)24/h4-5,10-12,32H,6-9H2,1-3H3
InChIKeyDESIRXUFJYLYCK-UHFFFAOYSA-N
XLogP4.71
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-Difluoro-3-hydroxy-5-(trifluoromethyl)phenyl)-N,N-dimethyl-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-indazole-3-carboxamide
CID 163233810
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
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
2,6-Difluoro-3-(3-methyl-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-pyrazolo[4,3-b]pyridin-1-yl)-5-(trifluoromethyl)phenol
CID 163233995
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
1-(2,4-Difluoro-3-hydroxy-5-(trifluoromethyl)phenyl)-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-indazole-3-carboxamide
CID 163234090
2,6-Difluoro-3-(5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-3-(methylamino)-1H-indazol-1-yl)-5-(trifluoromethyl)phenol
CID 163234098

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol?
The IUPAC name of 3-[3-(dimethylamino)-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol (CID 163234129) is 3-[3-(dimethylamino)-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-[3-(dimethylamino)-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-[3-(dimethylamino)-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol is CN(C)c1nn(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2ccc(N(C)C3CCOCC3)cc12.
What is the InChIKey of 3-[3-(dimethylamino)-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol?
The InChIKey is DESIRXUFJYLYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F5N4O2/c1-29(2)21-14-10-13(30(3)12-6-8-33-9-7-12)4-5-16(14)31(28-21)17-11-15(22(25,26)27)18(23)20(32)19(17)24/h4-5,10-12,32H,6-9H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol?
3-[3-(dimethylamino)-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol has a molecular weight of 470.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol is sourced from PubChem (CID 163234129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).