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

C23H22F5N3O2 — CID 163233904

IUPAC3-[3-cyclopropyl-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol
SMILESCN(c1ccc2c(c1)c(C1CC1)nn2-c1cc(C(F)(F)F)c(F)c(O)c1F)C1CCOCC1
InChIInChI=1S/C23H22F5N3O2/c1-30(13-6-8-33-9-7-13)14-4-5-17-15(10-14)21(12-2-3-12)29-31(17)18-11-16(23(26,27)28)19(24)22(32)20(18)25/h4-5,10-13,32H,2-3,6-9H2,1H3
InChIKeyUIQZQPOCYJRKKB-UHFFFAOYSA-N
MW467.44 g/mol
LogP5.52
Rot. Bonds4

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

3-[3-cyclopropyl-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol (PubChem CID 163233904) has the molecular formula C23H22F5N3O2 and a molecular weight of 467.44 g/mol. Its IUPAC name is 3-[3-cyclopropyl-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-[3-cyclopropyl-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol
PubChem CID163233904
Molecular FormulaC23H22F5N3O2
Molecular Weight467.44 g/mol
Exact Mass467.16
IUPAC Name3-[3-cyclopropyl-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol
SMILESCN(c1ccc2c(c1)c(C1CC1)nn2-c1cc(C(F)(F)F)c(F)c(O)c1F)C1CCOCC1
InChIInChI=1S/C23H22F5N3O2/c1-30(13-6-8-33-9-7-13)14-4-5-17-15(10-14)21(12-2-3-12)29-31(17)18-11-16(23(26,27)28)19(24)22(32)20(18)25/h4-5,10-13,32H,2-3,6-9H2,1H3
InChIKeyUIQZQPOCYJRKKB-UHFFFAOYSA-N
XLogP5.52
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.44
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-cyclopropyl-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol 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
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
5-(5-(4,4-Dimethylcyclohex-1-en-1-yl)-2H-indazol-2-yl)-2-fluoro-3-(trifluoromethyl)phenol
CID 163233938
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclopropyl-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol?
The IUPAC name of 3-[3-cyclopropyl-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol (CID 163233904) is 3-[3-cyclopropyl-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-[3-cyclopropyl-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-[3-cyclopropyl-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol is CN(c1ccc2c(c1)c(C1CC1)nn2-c1cc(C(F)(F)F)c(F)c(O)c1F)C1CCOCC1.
What is the InChIKey of 3-[3-cyclopropyl-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol?
The InChIKey is UIQZQPOCYJRKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F5N3O2/c1-30(13-6-8-33-9-7-13)14-4-5-17-15(10-14)21(12-2-3-12)29-31(17)18-11-16(23(26,27)28)19(24)22(32)20(18)25/h4-5,10-13,32H,2-3,6-9H2,1H3.
What are the key properties of 3-[3-cyclopropyl-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol?
3-[3-cyclopropyl-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol has a molecular weight of 467.44 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclopropyl-5-[methyl(oxan-4-yl)amino]indazol-1-yl]-2,6-difluoro-5-(trifluoromethyl)phenol is sourced from PubChem (CID 163233904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).