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

C21H19F5N4O3 — CID 163234090

IUPAC1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide
SMILESCN(c1ccc2c(c1)c(C(N)=O)nn2-c1cc(C(F)(F)F)c(F)c(O)c1F)C1CCOCC1
InChIInChI=1S/C21H19F5N4O3/c1-29(10-4-6-33-7-5-10)11-2-3-14-12(8-11)18(20(27)32)28-30(14)15-9-13(21(24,25)26)16(22)19(31)17(15)23/h2-3,8-10,31H,4-7H2,1H3,(H2,27,32)
InChIKeyPQIHETPOFIPBDV-UHFFFAOYSA-N
MW470.40 g/mol
LogP3.74
Rot. Bonds4

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

1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide (PubChem CID 163234090) has the molecular formula C21H19F5N4O3 and a molecular weight of 470.40 g/mol. Its IUPAC name is 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide
PubChem CID163234090
Molecular FormulaC21H19F5N4O3
Molecular Weight470.40 g/mol
Exact Mass470.14
IUPAC Name1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide
SMILESCN(c1ccc2c(c1)c(C(N)=O)nn2-c1cc(C(F)(F)F)c(F)c(O)c1F)C1CCOCC1
InChIInChI=1S/C21H19F5N4O3/c1-29(10-4-6-33-7-5-10)11-2-3-14-12(8-11)18(20(27)32)28-30(14)15-9-13(21(24,25)26)16(22)19(31)17(15)23/h2-3,8-10,31H,4-7H2,1H3,(H2,27,32)
InChIKeyPQIHETPOFIPBDV-UHFFFAOYSA-N
XLogP3.74
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-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

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
1-(2,4-Difluoro-3-hydroxy-5-(trifluoromethyl)phenyl)-N-methyl-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-indazole-3-carboxamide
CID 163233826
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
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
3-(3-(Dimethylamino)-5-(methyl(tetrahydro-2H-pyran-4-yl)amino)-1H-indazol-1-yl)-2,6-difluoro-5-(trifluoromethyl)phenol
CID 163234129
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

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide?
The IUPAC name of 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide (CID 163234090) is 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide.
What is the SMILES notation for 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide?
The canonical SMILES for 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide is CN(c1ccc2c(c1)c(C(N)=O)nn2-c1cc(C(F)(F)F)c(F)c(O)c1F)C1CCOCC1.
What is the InChIKey of 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide?
The InChIKey is PQIHETPOFIPBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F5N4O3/c1-29(10-4-6-33-7-5-10)11-2-3-14-12(8-11)18(20(27)32)28-30(14)15-9-13(21(24,25)26)16(22)19(31)17(15)23/h2-3,8-10,31H,4-7H2,1H3,(H2,27,32).
What are the key properties of 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide?
1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide has a molecular weight of 470.40 g/mol, XLogP of 3.74, 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]-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide is sourced from PubChem (CID 163234090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).