5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one

C15H16ClFN4O — CID 133411831

IUPAC5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2CCCN(c3ccccc3F)C2)c1Cl
InChIInChI=1S/C15H16ClFN4O/c16-14-12(8-18-20-15(14)22)19-10-4-3-7-21(9-10)13-6-2-1-5-11(13)17/h1-2,5-6,8,10H,3-4,7,9H2,(H2,19,20,22)
InChIKeyPYIQAXDFEQAMJJ-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.64
Rot. Bonds3

About 5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one

5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one (PubChem CID 133411831) has the molecular formula C15H16ClFN4O and a molecular weight of 322.77 g/mol. Its IUPAC name is 5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one
PubChem CID133411831
Molecular FormulaC15H16ClFN4O
Molecular Weight322.77 g/mol
Exact Mass322.10
IUPAC Name5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2CCCN(c3ccccc3F)C2)c1Cl
InChIInChI=1S/C15H16ClFN4O/c16-14-12(8-18-20-15(14)22)19-10-4-3-7-21(9-10)13-6-2-1-5-11(13)17/h1-2,5-6,8,10H,3-4,7,9H2,(H2,19,20,22)
InChIKeyPYIQAXDFEQAMJJ-UHFFFAOYSA-N
XLogP2.64
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one (CID 133411831) is 5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one is O=c1[nH]ncc(NC2CCCN(c3ccccc3F)C2)c1Cl.
What is the InChIKey of 5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one?
The InChIKey is PYIQAXDFEQAMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O/c16-14-12(8-18-20-15(14)22)19-10-4-3-7-21(9-10)13-6-2-1-5-11(13)17/h1-2,5-6,8,10H,3-4,7,9H2,(H2,19,20,22).
What are the key properties of 5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one?
5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one has a molecular weight of 322.77 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one is sourced from PubChem (CID 133411831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).