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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Related Compounds

2-Chloro-N-ethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 45269354
N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138781
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-ethylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299573
1-[2-[[(2S)-1-[(3-chloro-2-fluorophenyl)methylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299858
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130300071
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130300103
3-[5-(2-chloroanilino)indazol-1-yl]-N-(3-methyl-4-morpholin-4-ylphenyl)benzamide
CID 71602721
3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 71602723
3-[5-(2-chloroanilino)indazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71602771
3-[5-(2-chloroanilino)indazol-1-yl]-N-(2-hydroxyethyl)benzamide
CID 71602818
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[3-[4-(methylcarbamoyl)phenyl]-1H-indazol-6-yl]propanediamide
CID 155559402
6-[2-chloro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-N-(2-hydroxyethyl)-1H-indazole-3-carboxamide
CID 162651993

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).