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

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).