3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyethyl)indazole-6-carboxamide

C23H19ClFN3O2 — CID 134522153

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyethyl)indazole-6-carboxamide
SMILESCOCCNC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C23H19ClFN3O2/c1-30-13-12-26-23(29)15-6-11-19-21(14-15)28(17-9-7-16(25)8-10-17)27-22(19)18-4-2-3-5-20(18)24/h2-11,14H,12-13H2,1H3,(H,26,29)
InChIKeyXSZVJJFKPXZLRS-UHFFFAOYSA-N
MW423.88 g/mol
LogP4.86
Rot. Bonds6

About 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyethyl)indazole-6-carboxamide

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyethyl)indazole-6-carboxamide (PubChem CID 134522153) has the molecular formula C23H19ClFN3O2 and a molecular weight of 423.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyethyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyethyl)indazole-6-carboxamide
PubChem CID134522153
Molecular FormulaC23H19ClFN3O2
Molecular Weight423.88 g/mol
Exact Mass423.11
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyethyl)indazole-6-carboxamide
SMILESCOCCNC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C23H19ClFN3O2/c1-30-13-12-26-23(29)15-6-11-19-21(14-15)28(17-9-7-16(25)8-10-17)27-22(19)18-4-2-3-5-20(18)24/h2-11,14H,12-13H2,1H3,(H,26,29)
InChIKeyXSZVJJFKPXZLRS-UHFFFAOYSA-N
XLogP4.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyethyl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyethyl)indazole-6-carboxamide (CID 134522153) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyethyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyethyl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyethyl)indazole-6-carboxamide is COCCNC(=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyethyl)indazole-6-carboxamide?
The InChIKey is XSZVJJFKPXZLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O2/c1-30-13-12-26-23(29)15-6-11-19-21(14-15)28(17-9-7-16(25)8-10-17)27-22(19)18-4-2-3-5-20(18)24/h2-11,14H,12-13H2,1H3,(H,26,29).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyethyl)indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyethyl)indazole-6-carboxamide has a molecular weight of 423.88 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-methoxyethyl)indazole-6-carboxamide is sourced from PubChem (CID 134522153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).