5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline

C17H15FN4 — CID 141318171

IUPAC5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCCN1Cc2cn[nH]c2-c2ccc(-c3cccnc3F)cc21
InChIInChI=1S/C17H15FN4/c1-2-22-10-12-9-20-21-16(12)14-6-5-11(8-15(14)22)13-4-3-7-19-17(13)18/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyWQPJGPRNHMRCFE-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.62
Rot. Bonds2

About 5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline

5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 141318171) has the molecular formula C17H15FN4 and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID141318171
Molecular FormulaC17H15FN4
Molecular Weight294.33 g/mol
Exact Mass294.13
IUPAC Name5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCCN1Cc2cn[nH]c2-c2ccc(-c3cccnc3F)cc21
InChIInChI=1S/C17H15FN4/c1-2-22-10-12-9-20-21-16(12)14-6-5-11(8-15(14)22)13-4-3-7-19-17(13)18/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyWQPJGPRNHMRCFE-UHFFFAOYSA-N
XLogP3.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline (CID 141318171) is 5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline is CCN1Cc2cn[nH]c2-c2ccc(-c3cccnc3F)cc21.
What is the InChIKey of 5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is WQPJGPRNHMRCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4/c1-2-22-10-12-9-20-21-16(12)14-6-5-11(8-15(14)22)13-4-3-7-19-17(13)18/h3-9H,2,10H2,1H3,(H,20,21).
What are the key properties of 5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline?
5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 294.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-(2-fluoro-3-pyridinyl)-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 141318171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).