3-fluoro-4-[6-(2-methylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxyaniline

C23H27FN4O3 — CID 66766865

IUPAC3-fluoro-4-[6-(2-methylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxyaniline
SMILESCC1CN(c2cc3nn(C4CCCCO4)cc3cc2Oc2ccc(N)cc2F)CCO1
InChIInChI=1S/C23H27FN4O3/c1-15-13-27(7-9-29-15)20-12-19-16(14-28(26-19)23-4-2-3-8-30-23)10-22(20)31-21-6-5-17(25)11-18(21)24/h5-6,10-12,14-15,23H,2-4,7-9,13,25H2,1H3
InChIKeyJIDSZGYCIOEQPC-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.47
Rot. Bonds4

About 3-fluoro-4-[6-(2-methylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxyaniline

3-fluoro-4-[6-(2-methylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxyaniline (PubChem CID 66766865) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 3-fluoro-4-[6-(2-methylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxyaniline.

Molecular Properties

Compound Name3-fluoro-4-[6-(2-methylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxyaniline
PubChem CID66766865
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name3-fluoro-4-[6-(2-methylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxyaniline
SMILESCC1CN(c2cc3nn(C4CCCCO4)cc3cc2Oc2ccc(N)cc2F)CCO1
InChIInChI=1S/C23H27FN4O3/c1-15-13-27(7-9-29-15)20-12-19-16(14-28(26-19)23-4-2-3-8-30-23)10-22(20)31-21-6-5-17(25)11-18(21)24/h5-6,10-12,14-15,23H,2-4,7-9,13,25H2,1H3
InChIKeyJIDSZGYCIOEQPC-UHFFFAOYSA-N
XLogP4.47
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[6-(2-methylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxyaniline?
The IUPAC name of 3-fluoro-4-[6-(2-methylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxyaniline (CID 66766865) is 3-fluoro-4-[6-(2-methylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxyaniline.
What is the SMILES notation for 3-fluoro-4-[6-(2-methylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxyaniline?
The canonical SMILES for 3-fluoro-4-[6-(2-methylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxyaniline is CC1CN(c2cc3nn(C4CCCCO4)cc3cc2Oc2ccc(N)cc2F)CCO1.
What is the InChIKey of 3-fluoro-4-[6-(2-methylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxyaniline?
The InChIKey is JIDSZGYCIOEQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c1-15-13-27(7-9-29-15)20-12-19-16(14-28(26-19)23-4-2-3-8-30-23)10-22(20)31-21-6-5-17(25)11-18(21)24/h5-6,10-12,14-15,23H,2-4,7-9,13,25H2,1H3.
What are the key properties of 3-fluoro-4-[6-(2-methylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxyaniline?
3-fluoro-4-[6-(2-methylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxyaniline has a molecular weight of 426.49 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[6-(2-methylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxyaniline is sourced from PubChem (CID 66766865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).