4-[[6-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline

C20H17FN4O — CID 66767155

IUPAC4-[[6-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline
SMILESCc1cc(-c2cc3[nH]ncc3cc2Oc2ccc(N)cc2F)cc(C)n1
InChIInChI=1S/C20H17FN4O/c1-11-5-13(6-12(2)24-11)16-9-18-14(10-23-25-18)7-20(16)26-19-4-3-15(22)8-17(19)21/h3-10H,22H2,1-2H3,(H,23,25)
InChIKeyWBOBUZFGMWDEPU-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.76
Rot. Bonds3

About 4-[[6-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline

4-[[6-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline (PubChem CID 66767155) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-[[6-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[[6-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline
PubChem CID66767155
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name4-[[6-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline
SMILESCc1cc(-c2cc3[nH]ncc3cc2Oc2ccc(N)cc2F)cc(C)n1
InChIInChI=1S/C20H17FN4O/c1-11-5-13(6-12(2)24-11)16-9-18-14(10-23-25-18)7-20(16)26-19-4-3-15(22)8-17(19)21/h3-10H,22H2,1-2H3,(H,23,25)
InChIKeyWBOBUZFGMWDEPU-UHFFFAOYSA-N
XLogP4.76
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline?
The IUPAC name of 4-[[6-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline (CID 66767155) is 4-[[6-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline.
What is the SMILES notation for 4-[[6-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline?
The canonical SMILES for 4-[[6-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline is Cc1cc(-c2cc3[nH]ncc3cc2Oc2ccc(N)cc2F)cc(C)n1.
What is the InChIKey of 4-[[6-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline?
The InChIKey is WBOBUZFGMWDEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-11-5-13(6-12(2)24-11)16-9-18-14(10-23-25-18)7-20(16)26-19-4-3-15(22)8-17(19)21/h3-10H,22H2,1-2H3,(H,23,25).
What are the key properties of 4-[[6-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline?
4-[[6-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline has a molecular weight of 348.38 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2,6-dimethyl-4-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluoroaniline is sourced from PubChem (CID 66767155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).