1-[6-bromo-5-(2,4-difluorophenoxy)indazol-1-yl]-2-methylpropan-2-ol

C17H15BrF2N2O2 — CID 67416478

IUPAC1-[6-bromo-5-(2,4-difluorophenoxy)indazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1ncc2cc(Oc3ccc(F)cc3F)c(Br)cc21
InChIInChI=1S/C17H15BrF2N2O2/c1-17(2,23)9-22-14-7-12(18)16(5-10(14)8-21-22)24-15-4-3-11(19)6-13(15)20/h3-8,23H,9H2,1-2H3
InChIKeyGZPOLQFDEMGNES-UHFFFAOYSA-N
MW397.22 g/mol
LogP4.64
Rot. Bonds4

About 1-[6-bromo-5-(2,4-difluorophenoxy)indazol-1-yl]-2-methylpropan-2-ol

1-[6-bromo-5-(2,4-difluorophenoxy)indazol-1-yl]-2-methylpropan-2-ol (PubChem CID 67416478) has the molecular formula C17H15BrF2N2O2 and a molecular weight of 397.22 g/mol. Its IUPAC name is 1-[6-bromo-5-(2,4-difluorophenoxy)indazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[6-bromo-5-(2,4-difluorophenoxy)indazol-1-yl]-2-methylpropan-2-ol
PubChem CID67416478
Molecular FormulaC17H15BrF2N2O2
Molecular Weight397.22 g/mol
Exact Mass396.03
IUPAC Name1-[6-bromo-5-(2,4-difluorophenoxy)indazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1ncc2cc(Oc3ccc(F)cc3F)c(Br)cc21
InChIInChI=1S/C17H15BrF2N2O2/c1-17(2,23)9-22-14-7-12(18)16(5-10(14)8-21-22)24-15-4-3-11(19)6-13(15)20/h3-8,23H,9H2,1-2H3
InChIKeyGZPOLQFDEMGNES-UHFFFAOYSA-N
XLogP4.64
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.22
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-5-(2,4-difluorophenoxy)indazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[6-bromo-5-(2,4-difluorophenoxy)indazol-1-yl]-2-methylpropan-2-ol (CID 67416478) is 1-[6-bromo-5-(2,4-difluorophenoxy)indazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[6-bromo-5-(2,4-difluorophenoxy)indazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[6-bromo-5-(2,4-difluorophenoxy)indazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1ncc2cc(Oc3ccc(F)cc3F)c(Br)cc21.
What is the InChIKey of 1-[6-bromo-5-(2,4-difluorophenoxy)indazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is GZPOLQFDEMGNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N2O2/c1-17(2,23)9-22-14-7-12(18)16(5-10(14)8-21-22)24-15-4-3-11(19)6-13(15)20/h3-8,23H,9H2,1-2H3.
What are the key properties of 1-[6-bromo-5-(2,4-difluorophenoxy)indazol-1-yl]-2-methylpropan-2-ol?
1-[6-bromo-5-(2,4-difluorophenoxy)indazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 397.22 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-5-(2,4-difluorophenoxy)indazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 67416478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).