2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole

C22H17ClF2N2O — CID 67021489

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole
SMILESCOc1ccc(-c2c3cccc(F)c3nn2Cc2c(F)cccc2Cl)c(C)c1
InChIInChI=1S/C22H17ClF2N2O/c1-13-11-14(28-2)9-10-15(13)22-16-5-3-8-20(25)21(16)26-27(22)12-17-18(23)6-4-7-19(17)24/h3-11H,12H2,1-2H3
InChIKeyXTVPSLOFURASME-UHFFFAOYSA-N
MW398.84 g/mol
LogP6.00
Rot. Bonds4

About 2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole

2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole (PubChem CID 67021489) has the molecular formula C22H17ClF2N2O and a molecular weight of 398.84 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole
PubChem CID67021489
Molecular FormulaC22H17ClF2N2O
Molecular Weight398.84 g/mol
Exact Mass398.10
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole
SMILESCOc1ccc(-c2c3cccc(F)c3nn2Cc2c(F)cccc2Cl)c(C)c1
InChIInChI=1S/C22H17ClF2N2O/c1-13-11-14(28-2)9-10-15(13)22-16-5-3-8-20(25)21(16)26-27(22)12-17-18(23)6-4-7-19(17)24/h3-11H,12H2,1-2H3
InChIKeyXTVPSLOFURASME-UHFFFAOYSA-N
XLogP6.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.84
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole (CID 67021489) is 2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole is COc1ccc(-c2c3cccc(F)c3nn2Cc2c(F)cccc2Cl)c(C)c1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole?
The InChIKey is XTVPSLOFURASME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N2O/c1-13-11-14(28-2)9-10-15(13)22-16-5-3-8-20(25)21(16)26-27(22)12-17-18(23)6-4-7-19(17)24/h3-11H,12H2,1-2H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole?
2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole has a molecular weight of 398.84 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-7-fluoro-3-(4-methoxy-2-methylphenyl)indazole is sourced from PubChem (CID 67021489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).