3-fluoro-4-[1-(naphthalene-1-carbonyl)indazol-3-yl]benzoic acid

C25H15FN2O3 — CID 73297001

IUPAC3-fluoro-4-[1-(naphthalene-1-carbonyl)indazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nn(C(=O)c3cccc4ccccc34)c3ccccc23)c(F)c1
InChIInChI=1S/C25H15FN2O3/c26-21-14-16(25(30)31)12-13-19(21)23-20-9-3-4-11-22(20)28(27-23)24(29)18-10-5-7-15-6-1-2-8-17(15)18/h1-14H,(H,30,31)
InChIKeyURJOBDIUNWPXTR-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.38
Rot. Bonds3

About 3-fluoro-4-[1-(naphthalene-1-carbonyl)indazol-3-yl]benzoic acid

3-fluoro-4-[1-(naphthalene-1-carbonyl)indazol-3-yl]benzoic acid (PubChem CID 73297001) has the molecular formula C25H15FN2O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 3-fluoro-4-[1-(naphthalene-1-carbonyl)indazol-3-yl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[1-(naphthalene-1-carbonyl)indazol-3-yl]benzoic acid
PubChem CID73297001
Molecular FormulaC25H15FN2O3
Molecular Weight410.40 g/mol
Exact Mass410.11
IUPAC Name3-fluoro-4-[1-(naphthalene-1-carbonyl)indazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nn(C(=O)c3cccc4ccccc34)c3ccccc23)c(F)c1
InChIInChI=1S/C25H15FN2O3/c26-21-14-16(25(30)31)12-13-19(21)23-20-9-3-4-11-22(20)28(27-23)24(29)18-10-5-7-15-6-1-2-8-17(15)18/h1-14H,(H,30,31)
InChIKeyURJOBDIUNWPXTR-UHFFFAOYSA-N
XLogP5.38
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-(naphthalene-1-carbonyl)indazol-3-yl]benzoic acid?
The IUPAC name of 3-fluoro-4-[1-(naphthalene-1-carbonyl)indazol-3-yl]benzoic acid (CID 73297001) is 3-fluoro-4-[1-(naphthalene-1-carbonyl)indazol-3-yl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[1-(naphthalene-1-carbonyl)indazol-3-yl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[1-(naphthalene-1-carbonyl)indazol-3-yl]benzoic acid is O=C(O)c1ccc(-c2nn(C(=O)c3cccc4ccccc34)c3ccccc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-[1-(naphthalene-1-carbonyl)indazol-3-yl]benzoic acid?
The InChIKey is URJOBDIUNWPXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15FN2O3/c26-21-14-16(25(30)31)12-13-19(21)23-20-9-3-4-11-22(20)28(27-23)24(29)18-10-5-7-15-6-1-2-8-17(15)18/h1-14H,(H,30,31).
What are the key properties of 3-fluoro-4-[1-(naphthalene-1-carbonyl)indazol-3-yl]benzoic acid?
3-fluoro-4-[1-(naphthalene-1-carbonyl)indazol-3-yl]benzoic acid has a molecular weight of 410.40 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-(naphthalene-1-carbonyl)indazol-3-yl]benzoic acid is sourced from PubChem (CID 73297001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).