1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]indazole-4-carboxamide

C23H19FN4O2 — CID 58138839

IUPAC1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]indazole-4-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C23H19FN4O2/c1-25-22(29)16-5-2-4-15(12-16)13-26-23(30)19-6-3-7-21-20(19)14-27-28(21)18-10-8-17(24)9-11-18/h2-12,14H,13H2,1H3,(H,25,29)(H,26,30)
InChIKeyHDTUVGLADZMLAU-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.45
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]indazole-4-carboxamide

1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]indazole-4-carboxamide (PubChem CID 58138839) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]indazole-4-carboxamide
PubChem CID58138839
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]indazole-4-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C23H19FN4O2/c1-25-22(29)16-5-2-4-15(12-16)13-26-23(30)19-6-3-7-21-20(19)14-27-28(21)18-10-8-17(24)9-11-18/h2-12,14H,13H2,1H3,(H,25,29)(H,26,30)
InChIKeyHDTUVGLADZMLAU-UHFFFAOYSA-N
XLogP3.45
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]indazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]indazole-4-carboxamide (CID 58138839) is 1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]indazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]indazole-4-carboxamide is CNC(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]indazole-4-carboxamide?
The InChIKey is HDTUVGLADZMLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-25-22(29)16-5-2-4-15(12-16)13-26-23(30)19-6-3-7-21-20(19)14-27-28(21)18-10-8-17(24)9-11-18/h2-12,14H,13H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]indazole-4-carboxamide?
1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]indazole-4-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]indazole-4-carboxamide is sourced from PubChem (CID 58138839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).