[1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone

C23H21FN2O — CID 91864533

IUPAC[1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)c1nn(CCCCCF)c2ccccc12
InChIInChI=1S/C23H21FN2O/c24-15-6-1-7-16-26-21-14-5-4-12-20(21)22(25-26)23(27)19-13-8-10-17-9-2-3-11-18(17)19/h2-5,8-14H,1,6-7,15-16H2
InChIKeyDULWRYKFTVFPTL-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.56
Rot. Bonds7

About [1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone

[1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone (PubChem CID 91864533) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is [1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone
PubChem CID91864533
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name[1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)c1nn(CCCCCF)c2ccccc12
InChIInChI=1S/C23H21FN2O/c24-15-6-1-7-16-26-21-14-5-4-12-20(21)22(25-26)23(27)19-13-8-10-17-9-2-3-11-18(17)19/h2-5,8-14H,1,6-7,15-16H2
InChIKeyDULWRYKFTVFPTL-UHFFFAOYSA-N
XLogP5.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone (CID 91864533) is [1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)c1nn(CCCCCF)c2ccccc12.
What is the InChIKey of [1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is DULWRYKFTVFPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c24-15-6-1-7-16-26-21-14-5-4-12-20(21)22(25-26)23(27)19-13-8-10-17-9-2-3-11-18(17)19/h2-5,8-14H,1,6-7,15-16H2.
What are the key properties of [1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone?
[1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 360.43 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoropentyl)indazol-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 91864533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).