1-(5-fluoropentyl)-N-naphthalen-1-ylindazole-3-carboxamide

C23H22FN3O — CID 91936859

IUPAC1-(5-fluoropentyl)-N-naphthalen-1-ylindazole-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1nn(CCCCCF)c2ccccc12
InChIInChI=1S/C23H22FN3O/c24-15-6-1-7-16-27-21-14-5-4-12-19(21)22(26-27)23(28)25-20-13-8-10-17-9-2-3-11-18(17)20/h2-5,8-14H,1,6-7,15-16H2,(H,25,28)
InChIKeyXBSWUIWDRFCAGZ-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.58
Rot. Bonds7

About 1-(5-fluoropentyl)-N-naphthalen-1-ylindazole-3-carboxamide

1-(5-fluoropentyl)-N-naphthalen-1-ylindazole-3-carboxamide (PubChem CID 91936859) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-(5-fluoropentyl)-N-naphthalen-1-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-fluoropentyl)-N-naphthalen-1-ylindazole-3-carboxamide
PubChem CID91936859
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name1-(5-fluoropentyl)-N-naphthalen-1-ylindazole-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1nn(CCCCCF)c2ccccc12
InChIInChI=1S/C23H22FN3O/c24-15-6-1-7-16-27-21-14-5-4-12-19(21)22(26-27)23(28)25-20-13-8-10-17-9-2-3-11-18(17)20/h2-5,8-14H,1,6-7,15-16H2,(H,25,28)
InChIKeyXBSWUIWDRFCAGZ-UHFFFAOYSA-N
XLogP5.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.58
H-Bond Donors ≤ 51
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)-N-naphthalen-1-ylindazole-3-carboxamide?
The IUPAC name of 1-(5-fluoropentyl)-N-naphthalen-1-ylindazole-3-carboxamide (CID 91936859) is 1-(5-fluoropentyl)-N-naphthalen-1-ylindazole-3-carboxamide.
What is the SMILES notation for 1-(5-fluoropentyl)-N-naphthalen-1-ylindazole-3-carboxamide?
The canonical SMILES for 1-(5-fluoropentyl)-N-naphthalen-1-ylindazole-3-carboxamide is O=C(Nc1cccc2ccccc12)c1nn(CCCCCF)c2ccccc12.
What is the InChIKey of 1-(5-fluoropentyl)-N-naphthalen-1-ylindazole-3-carboxamide?
The InChIKey is XBSWUIWDRFCAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-15-6-1-7-16-27-21-14-5-4-12-19(21)22(26-27)23(28)25-20-13-8-10-17-9-2-3-11-18(17)20/h2-5,8-14H,1,6-7,15-16H2,(H,25,28).
What are the key properties of 1-(5-fluoropentyl)-N-naphthalen-1-ylindazole-3-carboxamide?
1-(5-fluoropentyl)-N-naphthalen-1-ylindazole-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropentyl)-N-naphthalen-1-ylindazole-3-carboxamide is sourced from PubChem (CID 91936859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).