4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid

C24H12ClF4N5O3 — CID 73295758

IUPAC4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(-c4ncn[nH]4)ccc23)c(F)c1
InChIInChI=1S/C24H12ClF4N5O3/c25-16-3-1-2-15(24(27,28)29)19(16)22(35)34-18-9-11(21-30-10-31-32-21)4-7-14(18)20(33-34)13-6-5-12(23(36)37)8-17(13)26/h1-10H,(H,36,37)(H,30,31,32)
InChIKeyIDRHROXCDMIJRG-UHFFFAOYSA-N
MW529.84 g/mol
LogP5.69
Rot. Bonds4

About 4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid

4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid (PubChem CID 73295758) has the molecular formula C24H12ClF4N5O3 and a molecular weight of 529.84 g/mol. Its IUPAC name is 4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid
PubChem CID73295758
Molecular FormulaC24H12ClF4N5O3
Molecular Weight529.84 g/mol
Exact Mass529.06
IUPAC Name4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(-c4ncn[nH]4)ccc23)c(F)c1
InChIInChI=1S/C24H12ClF4N5O3/c25-16-3-1-2-15(24(27,28)29)19(16)22(35)34-18-9-11(21-30-10-31-32-21)4-7-14(18)20(33-34)13-6-5-12(23(36)37)8-17(13)26/h1-10H,(H,36,37)(H,30,31,32)
InChIKeyIDRHROXCDMIJRG-UHFFFAOYSA-N
XLogP5.69
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.84
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid?
The IUPAC name of 4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid (CID 73295758) is 4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid is O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(-c4ncn[nH]4)ccc23)c(F)c1.
What is the InChIKey of 4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid?
The InChIKey is IDRHROXCDMIJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12ClF4N5O3/c25-16-3-1-2-15(24(27,28)29)19(16)22(35)34-18-9-11(21-30-10-31-32-21)4-7-14(18)20(33-34)13-6-5-12(23(36)37)8-17(13)26/h1-10H,(H,36,37)(H,30,31,32).
What are the key properties of 4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid?
4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid has a molecular weight of 529.84 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-chloro-6-(trifluoromethyl)benzoyl]-6-(1H-1,2,4-triazol-5-yl)indazol-3-yl]-3-fluorobenzoic acid is sourced from PubChem (CID 73295758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).