3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoic acid

C18H14FN3O2 — CID 118382442

IUPAC3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(-c3c[nH]c4cc(F)ccc34)ccc21
InChIInChI=1S/C18H14FN3O2/c19-13-2-3-14-15(10-20-16(14)8-13)11-1-4-17-12(7-11)9-21-22(17)6-5-18(23)24/h1-4,7-10,20H,5-6H2,(H,23,24)
InChIKeyBSLHXHZMGJSZKG-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.80
Rot. Bonds4

About 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoic acid

3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoic acid (PubChem CID 118382442) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoic acid
PubChem CID118382442
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(-c3c[nH]c4cc(F)ccc34)ccc21
InChIInChI=1S/C18H14FN3O2/c19-13-2-3-14-15(10-20-16(14)8-13)11-1-4-17-12(7-11)9-21-22(17)6-5-18(23)24/h1-4,7-10,20H,5-6H2,(H,23,24)
InChIKeyBSLHXHZMGJSZKG-UHFFFAOYSA-N
XLogP3.80
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoic acid (CID 118382442) is 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoic acid is O=C(O)CCn1ncc2cc(-c3c[nH]c4cc(F)ccc34)ccc21.
What is the InChIKey of 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoic acid?
The InChIKey is BSLHXHZMGJSZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-13-2-3-14-15(10-20-16(14)8-13)11-1-4-17-12(7-11)9-21-22(17)6-5-18(23)24/h1-4,7-10,20H,5-6H2,(H,23,24).
What are the key properties of 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoic acid?
3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoic acid has a molecular weight of 323.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]propanoic acid is sourced from PubChem (CID 118382442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).