4-[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline

C17H11FN4 — CID 11033585

IUPAC4-[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
SMILESFc1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)nc1
InChIInChI=1S/C17H11FN4/c18-11-5-6-16(20-9-11)17-14(10-21-22-17)12-7-8-19-15-4-2-1-3-13(12)15/h1-10H,(H,21,22)
InChIKeyZATZDNPVDSSIMP-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.83
Rot. Bonds2

About 4-[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline

4-[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline (PubChem CID 11033585) has the molecular formula C17H11FN4 and a molecular weight of 290.30 g/mol. Its IUPAC name is 4-[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline.

Molecular Properties

Compound Name4-[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
PubChem CID11033585
Molecular FormulaC17H11FN4
Molecular Weight290.30 g/mol
Exact Mass290.10
IUPAC Name4-[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
SMILESFc1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)nc1
InChIInChI=1S/C17H11FN4/c18-11-5-6-16(20-9-11)17-14(10-21-22-17)12-7-8-19-15-4-2-1-3-13(12)15/h1-10H,(H,21,22)
InChIKeyZATZDNPVDSSIMP-UHFFFAOYSA-N
XLogP3.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
The IUPAC name of 4-[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline (CID 11033585) is 4-[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline.
What is the SMILES notation for 4-[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
The canonical SMILES for 4-[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline is Fc1ccc(-c2[nH]ncc2-c2ccnc3ccccc23)nc1.
What is the InChIKey of 4-[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
The InChIKey is ZATZDNPVDSSIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4/c18-11-5-6-16(20-9-11)17-14(10-21-22-17)12-7-8-19-15-4-2-1-3-13(12)15/h1-10H,(H,21,22).
What are the key properties of 4-[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline?
4-[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline has a molecular weight of 290.30 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]quinoline is sourced from PubChem (CID 11033585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).