3-[benzylcarbamoyl(methyl)amino]-1-(4-fluorophenyl)indazole-4-carboxylic acid

C23H19FN4O3 — CID 66917040

IUPAC3-[benzylcarbamoyl(methyl)amino]-1-(4-fluorophenyl)indazole-4-carboxylic acid
SMILESCN(C(=O)NCc1ccccc1)c1nn(-c2ccc(F)cc2)c2cccc(C(=O)O)c12
InChIInChI=1S/C23H19FN4O3/c1-27(23(31)25-14-15-6-3-2-4-7-15)21-20-18(22(29)30)8-5-9-19(20)28(26-21)17-12-10-16(24)11-13-17/h2-13H,14H2,1H3,(H,25,31)(H,29,30)
InChIKeyNUUXZSJWEOEGSG-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.21
Rot. Bonds5

About 3-[benzylcarbamoyl(methyl)amino]-1-(4-fluorophenyl)indazole-4-carboxylic acid

3-[benzylcarbamoyl(methyl)amino]-1-(4-fluorophenyl)indazole-4-carboxylic acid (PubChem CID 66917040) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 3-[benzylcarbamoyl(methyl)amino]-1-(4-fluorophenyl)indazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[benzylcarbamoyl(methyl)amino]-1-(4-fluorophenyl)indazole-4-carboxylic acid
PubChem CID66917040
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name3-[benzylcarbamoyl(methyl)amino]-1-(4-fluorophenyl)indazole-4-carboxylic acid
SMILESCN(C(=O)NCc1ccccc1)c1nn(-c2ccc(F)cc2)c2cccc(C(=O)O)c12
InChIInChI=1S/C23H19FN4O3/c1-27(23(31)25-14-15-6-3-2-4-7-15)21-20-18(22(29)30)8-5-9-19(20)28(26-21)17-12-10-16(24)11-13-17/h2-13H,14H2,1H3,(H,25,31)(H,29,30)
InChIKeyNUUXZSJWEOEGSG-UHFFFAOYSA-N
XLogP4.21
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[benzylcarbamoyl(methyl)amino]-1-(4-fluorophenyl)indazole-4-carboxylic acid?
The IUPAC name of 3-[benzylcarbamoyl(methyl)amino]-1-(4-fluorophenyl)indazole-4-carboxylic acid (CID 66917040) is 3-[benzylcarbamoyl(methyl)amino]-1-(4-fluorophenyl)indazole-4-carboxylic acid.
What is the SMILES notation for 3-[benzylcarbamoyl(methyl)amino]-1-(4-fluorophenyl)indazole-4-carboxylic acid?
The canonical SMILES for 3-[benzylcarbamoyl(methyl)amino]-1-(4-fluorophenyl)indazole-4-carboxylic acid is CN(C(=O)NCc1ccccc1)c1nn(-c2ccc(F)cc2)c2cccc(C(=O)O)c12.
What is the InChIKey of 3-[benzylcarbamoyl(methyl)amino]-1-(4-fluorophenyl)indazole-4-carboxylic acid?
The InChIKey is NUUXZSJWEOEGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-27(23(31)25-14-15-6-3-2-4-7-15)21-20-18(22(29)30)8-5-9-19(20)28(26-21)17-12-10-16(24)11-13-17/h2-13H,14H2,1H3,(H,25,31)(H,29,30).
What are the key properties of 3-[benzylcarbamoyl(methyl)amino]-1-(4-fluorophenyl)indazole-4-carboxylic acid?
3-[benzylcarbamoyl(methyl)amino]-1-(4-fluorophenyl)indazole-4-carboxylic acid has a molecular weight of 418.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzylcarbamoyl(methyl)amino]-1-(4-fluorophenyl)indazole-4-carboxylic acid is sourced from PubChem (CID 66917040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).