4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline

C24H29FN4O3 — CID 66767239

IUPAC4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline
SMILESCC1(C)CN(c2cc3nn(C4CCCCO4)cc3cc2Oc2ccc(N)cc2F)CCO1
InChIInChI=1S/C24H29FN4O3/c1-24(2)15-28(8-10-31-24)20-13-19-16(14-29(27-19)23-5-3-4-9-30-23)11-22(20)32-21-7-6-17(26)12-18(21)25/h6-7,11-14,23H,3-5,8-10,15,26H2,1-2H3
InChIKeyNQYNATPARYNZHK-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.86
Rot. Bonds4

About 4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline

4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline (PubChem CID 66767239) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is 4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline.

Molecular Properties

Compound Name4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline
PubChem CID66767239
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline
SMILESCC1(C)CN(c2cc3nn(C4CCCCO4)cc3cc2Oc2ccc(N)cc2F)CCO1
InChIInChI=1S/C24H29FN4O3/c1-24(2)15-28(8-10-31-24)20-13-19-16(14-29(27-19)23-5-3-4-9-30-23)11-22(20)32-21-7-6-17(26)12-18(21)25/h6-7,11-14,23H,3-5,8-10,15,26H2,1-2H3
InChIKeyNQYNATPARYNZHK-UHFFFAOYSA-N
XLogP4.86
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.86
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 4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline?
The IUPAC name of 4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline (CID 66767239) is 4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline.
What is the SMILES notation for 4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline?
The canonical SMILES for 4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline is CC1(C)CN(c2cc3nn(C4CCCCO4)cc3cc2Oc2ccc(N)cc2F)CCO1.
What is the InChIKey of 4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline?
The InChIKey is NQYNATPARYNZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-24(2)15-28(8-10-31-24)20-13-19-16(14-29(27-19)23-5-3-4-9-30-23)11-22(20)32-21-7-6-17(26)12-18(21)25/h6-7,11-14,23H,3-5,8-10,15,26H2,1-2H3.
What are the key properties of 4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline?
4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline has a molecular weight of 440.52 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,2-dimethylmorpholin-4-yl)-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline is sourced from PubChem (CID 66767239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).