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

C21H22FN3O2 — CID 66767226

IUPAC4-[6-cyclopropyl-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline
SMILESNc1ccc(Oc2cc3cn(C4CCCCO4)nc3cc2C2CC2)c(F)c1
InChIInChI=1S/C21H22FN3O2/c22-17-10-15(23)6-7-19(17)27-20-9-14-12-25(21-3-1-2-8-26-21)24-18(14)11-16(20)13-4-5-13/h6-7,9-13,21H,1-5,8,23H2
InChIKeyRYXDPDZQYMSLQM-UHFFFAOYSA-N
MW367.42 g/mol
LogP5.13
Rot. Bonds4

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

4-[6-cyclopropyl-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline (PubChem CID 66767226) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-[6-cyclopropyl-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline.

Molecular Properties

Compound Name4-[6-cyclopropyl-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline
PubChem CID66767226
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name4-[6-cyclopropyl-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline
SMILESNc1ccc(Oc2cc3cn(C4CCCCO4)nc3cc2C2CC2)c(F)c1
InChIInChI=1S/C21H22FN3O2/c22-17-10-15(23)6-7-19(17)27-20-9-14-12-25(21-3-1-2-8-26-21)24-18(14)11-16(20)13-4-5-13/h6-7,9-13,21H,1-5,8,23H2
InChIKeyRYXDPDZQYMSLQM-UHFFFAOYSA-N
XLogP5.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclopropyl-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline?
The IUPAC name of 4-[6-cyclopropyl-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline (CID 66767226) is 4-[6-cyclopropyl-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline.
What is the SMILES notation for 4-[6-cyclopropyl-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline?
The canonical SMILES for 4-[6-cyclopropyl-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline is Nc1ccc(Oc2cc3cn(C4CCCCO4)nc3cc2C2CC2)c(F)c1.
What is the InChIKey of 4-[6-cyclopropyl-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline?
The InChIKey is RYXDPDZQYMSLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-17-10-15(23)6-7-19(17)27-20-9-14-12-25(21-3-1-2-8-26-21)24-18(14)11-16(20)13-4-5-13/h6-7,9-13,21H,1-5,8,23H2.
What are the key properties of 4-[6-cyclopropyl-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline?
4-[6-cyclopropyl-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline has a molecular weight of 367.42 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-cyclopropyl-2-(oxan-2-yl)indazol-5-yl]oxy-3-fluoroaniline is sourced from PubChem (CID 66767226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).