methyl 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate

C22H17FN2O2 — CID 11581274

IUPACmethyl 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate
SMILESCOC(=O)c1ccc(-c2c3ccccc3nn2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C22H17FN2O2/c1-27-22(26)17-10-8-16(9-11-17)21-19-4-2-3-5-20(19)24-25(21)14-15-6-12-18(23)13-7-15/h2-13H,14H2,1H3
InChIKeyJDCYSKMXYGHOBO-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.68
Rot. Bonds4

About methyl 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate

methyl 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate (PubChem CID 11581274) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is methyl 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate
PubChem CID11581274
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Namemethyl 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate
SMILESCOC(=O)c1ccc(-c2c3ccccc3nn2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C22H17FN2O2/c1-27-22(26)17-10-8-16(9-11-17)21-19-4-2-3-5-20(19)24-25(21)14-15-6-12-18(23)13-7-15/h2-13H,14H2,1H3
InChIKeyJDCYSKMXYGHOBO-UHFFFAOYSA-N
XLogP4.68
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate?
The IUPAC name of methyl 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate (CID 11581274) is methyl 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate.
What is the SMILES notation for methyl 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate?
The canonical SMILES for methyl 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate is COC(=O)c1ccc(-c2c3ccccc3nn2Cc2ccc(F)cc2)cc1.
What is the InChIKey of methyl 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate?
The InChIKey is JDCYSKMXYGHOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c1-27-22(26)17-10-8-16(9-11-17)21-19-4-2-3-5-20(19)24-25(21)14-15-6-12-18(23)13-7-15/h2-13H,14H2,1H3.
What are the key properties of methyl 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate?
methyl 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate has a molecular weight of 360.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate is sourced from PubChem (CID 11581274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).