1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide

C23H17F4N3O — CID 166628553

IUPAC1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc2c(cnn2Cc2cccc(F)c2)c1
InChIInChI=1S/C23H17F4N3O/c24-19-6-3-4-15(10-19)14-30-21-9-8-16(11-18(21)13-29-30)22(31)28-12-17-5-1-2-7-20(17)23(25,26)27/h1-11,13H,12,14H2,(H,28,31)
InChIKeyROYNGTIHYKLWGF-UHFFFAOYSA-N
MW427.40 g/mol
LogP5.17
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide

1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide (PubChem CID 166628553) has the molecular formula C23H17F4N3O and a molecular weight of 427.40 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide
PubChem CID166628553
Molecular FormulaC23H17F4N3O
Molecular Weight427.40 g/mol
Exact Mass427.13
IUPAC Name1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc2c(cnn2Cc2cccc(F)c2)c1
InChIInChI=1S/C23H17F4N3O/c24-19-6-3-4-15(10-19)14-30-21-9-8-16(11-18(21)13-29-30)22(31)28-12-17-5-1-2-7-20(17)23(25,26)27/h1-11,13H,12,14H2,(H,28,31)
InChIKeyROYNGTIHYKLWGF-UHFFFAOYSA-N
XLogP5.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.40
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide (CID 166628553) is 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(cnn2Cc2cccc(F)c2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide?
The InChIKey is ROYNGTIHYKLWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N3O/c24-19-6-3-4-15(10-19)14-30-21-9-8-16(11-18(21)13-29-30)22(31)28-12-17-5-1-2-7-20(17)23(25,26)27/h1-11,13H,12,14H2,(H,28,31).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide?
1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide has a molecular weight of 427.40 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide is sourced from PubChem (CID 166628553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).