7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole

C22H18ClFN2O2 — CID 67021100

IUPAC7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole
SMILESCOc1ccc(-c2c3cccc(Cl)c3nn2Cc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C22H18ClFN2O2/c1-27-16-10-11-17(20(12-16)28-2)22-18-4-3-5-19(23)21(18)25-26(22)13-14-6-8-15(24)9-7-14/h3-12H,13H2,1-2H3
InChIKeyBSLAKKWXKZZNQF-UHFFFAOYSA-N
MW396.85 g/mol
LogP5.56
Rot. Bonds5

About 7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole

7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole (PubChem CID 67021100) has the molecular formula C22H18ClFN2O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is 7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole.

Molecular Properties

Compound Name7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole
PubChem CID67021100
Molecular FormulaC22H18ClFN2O2
Molecular Weight396.85 g/mol
Exact Mass396.10
IUPAC Name7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole
SMILESCOc1ccc(-c2c3cccc(Cl)c3nn2Cc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C22H18ClFN2O2/c1-27-16-10-11-17(20(12-16)28-2)22-18-4-3-5-19(23)21(18)25-26(22)13-14-6-8-15(24)9-7-14/h3-12H,13H2,1-2H3
InChIKeyBSLAKKWXKZZNQF-UHFFFAOYSA-N
XLogP5.56
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.85
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole?
The IUPAC name of 7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole (CID 67021100) is 7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole.
What is the SMILES notation for 7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole?
The canonical SMILES for 7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole is COc1ccc(-c2c3cccc(Cl)c3nn2Cc2ccc(F)cc2)c(OC)c1.
What is the InChIKey of 7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole?
The InChIKey is BSLAKKWXKZZNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2/c1-27-16-10-11-17(20(12-16)28-2)22-18-4-3-5-19(23)21(18)25-26(22)13-14-6-8-15(24)9-7-14/h3-12H,13H2,1-2H3.
What are the key properties of 7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole?
7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole has a molecular weight of 396.85 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2,4-dimethoxyphenyl)-2-[(4-fluorophenyl)methyl]indazole is sourced from PubChem (CID 67021100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).