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

C23H23F5N4O3 — CID 163233810

IUPAC1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N,N-dimethyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2ccc(N(C)C3CCOCC3)cc12
InChIInChI=1S/C23H23F5N4O3/c1-30(2)22(34)20-14-10-13(31(3)12-6-8-35-9-7-12)4-5-16(14)32(29-20)17-11-15(23(26,27)28)18(24)21(33)19(17)25/h4-5,10-12,33H,6-9H2,1-3H3
InChIKeyBYJPVMHDAWWJCS-UHFFFAOYSA-N
MW498.45 g/mol
LogP4.35
Rot. Bonds4

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

1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N,N-dimethyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide (PubChem CID 163233810) has the molecular formula C23H23F5N4O3 and a molecular weight of 498.45 g/mol. Its IUPAC name is 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N,N-dimethyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N,N-dimethyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide
PubChem CID163233810
Molecular FormulaC23H23F5N4O3
Molecular Weight498.45 g/mol
Exact Mass498.17
IUPAC Name1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N,N-dimethyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2ccc(N(C)C3CCOCC3)cc12
InChIInChI=1S/C23H23F5N4O3/c1-30(2)22(34)20-14-10-13(31(3)12-6-8-35-9-7-12)4-5-16(14)32(29-20)17-11-15(23(26,27)28)18(24)21(33)19(17)25/h4-5,10-12,33H,6-9H2,1-3H3
InChIKeyBYJPVMHDAWWJCS-UHFFFAOYSA-N
XLogP4.35
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
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-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
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
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,N-dimethyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide?
The IUPAC name of 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N,N-dimethyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide (CID 163233810) is 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N,N-dimethyl-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,N-dimethyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide?
The canonical SMILES for 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N,N-dimethyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide is CN(C)C(=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,N-dimethyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide?
The InChIKey is BYJPVMHDAWWJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F5N4O3/c1-30(2)22(34)20-14-10-13(31(3)12-6-8-35-9-7-12)4-5-16(14)32(29-20)17-11-15(23(26,27)28)18(24)21(33)19(17)25/h4-5,10-12,33H,6-9H2,1-3H3.
What are the key properties of 1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N,N-dimethyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide?
1-[2,4-difluoro-3-hydroxy-5-(trifluoromethyl)phenyl]-N,N-dimethyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide has a molecular weight of 498.45 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 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,N-dimethyl-5-[methyl(oxan-4-yl)amino]indazole-3-carboxamide is sourced from PubChem (CID 163233810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).