3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]-1-pyridin-3-ylpyridazin-4-one

C21H13FN6O — CID 46872261

IUPAC3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]-1-pyridin-3-ylpyridazin-4-one
SMILESO=c1ccn(-c2cccnc2)nc1-c1ccnn1-c1ccnc2ccc(F)cc12
InChIInChI=1S/C21H13FN6O/c22-14-3-4-17-16(12-14)18(5-9-24-17)28-19(6-10-25-28)21-20(29)7-11-27(26-21)15-2-1-8-23-13-15/h1-13H
InChIKeyQPTDHLZJLGPMMP-UHFFFAOYSA-N
MW384.37 g/mol
LogP3.17
Rot. Bonds3

About 3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]-1-pyridin-3-ylpyridazin-4-one

3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]-1-pyridin-3-ylpyridazin-4-one (PubChem CID 46872261) has the molecular formula C21H13FN6O and a molecular weight of 384.37 g/mol. Its IUPAC name is 3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]-1-pyridin-3-ylpyridazin-4-one.

Molecular Properties

Compound Name3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]-1-pyridin-3-ylpyridazin-4-one
PubChem CID46872261
Molecular FormulaC21H13FN6O
Molecular Weight384.37 g/mol
Exact Mass384.11
IUPAC Name3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]-1-pyridin-3-ylpyridazin-4-one
SMILESO=c1ccn(-c2cccnc2)nc1-c1ccnn1-c1ccnc2ccc(F)cc12
InChIInChI=1S/C21H13FN6O/c22-14-3-4-17-16(12-14)18(5-9-24-17)28-19(6-10-25-28)21-20(29)7-11-27(26-21)15-2-1-8-23-13-15/h1-13H
InChIKeyQPTDHLZJLGPMMP-UHFFFAOYSA-N
XLogP3.17
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]-1-pyridin-3-ylpyridazin-4-one?
The IUPAC name of 3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]-1-pyridin-3-ylpyridazin-4-one (CID 46872261) is 3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]-1-pyridin-3-ylpyridazin-4-one.
What is the SMILES notation for 3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]-1-pyridin-3-ylpyridazin-4-one?
The canonical SMILES for 3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]-1-pyridin-3-ylpyridazin-4-one is O=c1ccn(-c2cccnc2)nc1-c1ccnn1-c1ccnc2ccc(F)cc12.
What is the InChIKey of 3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]-1-pyridin-3-ylpyridazin-4-one?
The InChIKey is QPTDHLZJLGPMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN6O/c22-14-3-4-17-16(12-14)18(5-9-24-17)28-19(6-10-25-28)21-20(29)7-11-27(26-21)15-2-1-8-23-13-15/h1-13H.
What are the key properties of 3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]-1-pyridin-3-ylpyridazin-4-one?
3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]-1-pyridin-3-ylpyridazin-4-one has a molecular weight of 384.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-fluoroquinolin-4-yl)pyrazol-3-yl]-1-pyridin-3-ylpyridazin-4-one is sourced from PubChem (CID 46872261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).