1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide

C22H21F5N4O3 — CID 163233826

IUPAC1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide
SMILESCNC(=O)c1nn(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2ccc(N(C)C3CCOCC3)cc12
InChIInChI=1S/C22H21F5N4O3/c1-28-21(33)19-13-9-12(30(2)11-5-7-34-8-6-11)3-4-15(13)31(29-19)16-10-14(22(25,26)27)17(23)20(32)18(16)24/h3-4,9-11,32H,5-8H2,1-2H3,(H,28,33)
InChIKeyXSFZKWXEXVABKZ-UHFFFAOYSA-N
MW484.43 g/mol
LogP4.00
Rot. Bonds4

About 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide

1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide (PubChem CID 163233826) has the molecular formula C22H21F5N4O3 and a molecular weight of 484.43 g/mol. Its IUPAC name is 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide
PubChem CID163233826
Molecular FormulaC22H21F5N4O3
Molecular Weight484.43 g/mol
Exact Mass484.15
IUPAC Name1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide
SMILESCNC(=O)c1nn(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2ccc(N(C)C3CCOCC3)cc12
InChIInChI=1S/C22H21F5N4O3/c1-28-21(33)19-13-9-12(30(2)11-5-7-34-8-6-11)3-4-15(13)31(29-19)16-10-14(22(25,26)27)17(23)20(32)18(16)24/h3-4,9-11,32H,5-8H2,1-2H3,(H,28,33)
InChIKeyXSFZKWXEXVABKZ-UHFFFAOYSA-N
XLogP4.00
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[2-(3-Hydroxyphenyl)ethylamino]-1-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 146641788
1-[2-[(2S)-2-[(2-fluoro-3-hydroxyphenyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 168298372
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-(5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-3-(trifluoromethyl)-1H-indazol-1-yl)-5-(trifluoromethyl)phenol
CID 163233848
3-(3-Cyclopropyl-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-indazol-1-yl)-2,6-difluoro-5-(trifluoromethyl)phenol
CID 163233904
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-(3-methyl-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-indazol-1-yl)-5-(trifluoromethyl)phenol
CID 163234130
2,6-Difluoro-3-(6-fluoro-3-methyl-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-indazol-1-yl)-5-(trifluoromethyl)phenol
CID 163234246
3-(3-Ethyl-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-indazol-1-yl)-2,6-difluoro-5-(trifluoromethyl)phenol
CID 163234264

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide?
The IUPAC name of 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide (CID 163233826) is 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide.
What is the SMILES notation for 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide?
The canonical SMILES for 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide is CNC(=O)c1nn(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2ccc(N(C)C3CCOCC3)cc12.
What is the InChIKey of 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide?
The InChIKey is XSFZKWXEXVABKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F5N4O3/c1-28-21(33)19-13-9-12(30(2)11-5-7-34-8-6-11)3-4-15(13)31(29-19)16-10-14(22(25,26)27)17(23)20(32)18(16)24/h3-4,9-11,32H,5-8H2,1-2H3,(H,28,33).
What are the key properties of 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide?
1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide has a molecular weight of 484.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N-methyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide is sourced from PubChem (CID 163233826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).