2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole

C22H15ClF4N2O — CID 67021311

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole
SMILESCOc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C22H15ClF4N2O/c1-30-16-9-6-13(7-10-16)21-17-3-2-4-18(22(25,26)27)20(17)28-29(21)12-14-5-8-15(24)11-19(14)23/h2-11H,12H2,1H3
InChIKeyJVIZTKFONHLIEY-UHFFFAOYSA-N
MW434.82 g/mol
LogP6.57
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole

2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole (PubChem CID 67021311) has the molecular formula C22H15ClF4N2O and a molecular weight of 434.82 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole
PubChem CID67021311
Molecular FormulaC22H15ClF4N2O
Molecular Weight434.82 g/mol
Exact Mass434.08
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole
SMILESCOc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C22H15ClF4N2O/c1-30-16-9-6-13(7-10-16)21-17-3-2-4-18(22(25,26)27)20(17)28-29(21)12-14-5-8-15(24)11-19(14)23/h2-11H,12H2,1H3
InChIKeyJVIZTKFONHLIEY-UHFFFAOYSA-N
XLogP6.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.82
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole (CID 67021311) is 2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole is COc1ccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole?
The InChIKey is JVIZTKFONHLIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF4N2O/c1-30-16-9-6-13(7-10-16)21-17-3-2-4-18(22(25,26)27)20(17)28-29(21)12-14-5-8-15(24)11-19(14)23/h2-11H,12H2,1H3.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole?
2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole has a molecular weight of 434.82 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-7-(trifluoromethyl)indazole is sourced from PubChem (CID 67021311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).