1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide

C21H14F4N4O — CID 58138868

IUPAC1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)nc1
InChIInChI=1S/C21H14F4N4O/c22-19-8-7-15(11-26-19)29-18-6-2-5-16(17(18)12-28-29)20(30)27-10-13-3-1-4-14(9-13)21(23,24)25/h1-9,11-12H,10H2,(H,27,30)
InChIKeyACXKPCJZZHOFID-UHFFFAOYSA-N
MW414.36 g/mol
LogP4.51
Rot. Bonds4

About 1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide

1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (PubChem CID 58138868) has the molecular formula C21H14F4N4O and a molecular weight of 414.36 g/mol. Its IUPAC name is 1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
PubChem CID58138868
Molecular FormulaC21H14F4N4O
Molecular Weight414.36 g/mol
Exact Mass414.11
IUPAC Name1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)nc1
InChIInChI=1S/C21H14F4N4O/c22-19-8-7-15(11-26-19)29-18-6-2-5-16(17(18)12-28-29)20(30)27-10-13-3-1-4-14(9-13)21(23,24)25/h1-9,11-12H,10H2,(H,27,30)
InChIKeyACXKPCJZZHOFID-UHFFFAOYSA-N
XLogP4.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The IUPAC name of 1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (CID 58138868) is 1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The canonical SMILES for 1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)nc1.
What is the InChIKey of 1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The InChIKey is ACXKPCJZZHOFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O/c22-19-8-7-15(11-26-19)29-18-6-2-5-16(17(18)12-28-29)20(30)27-10-13-3-1-4-14(9-13)21(23,24)25/h1-9,11-12H,10H2,(H,27,30).
What are the key properties of 1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide has a molecular weight of 414.36 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is sourced from PubChem (CID 58138868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).