4-chloro-2-[1-(2-fluorophenyl)-2-oxopiperidin-4-yl]-5-(methylamino)pyridazin-3-one

C16H16ClFN4O2 — CID 170115489

IUPAC4-chloro-2-[1-(2-fluorophenyl)-2-oxopiperidin-4-yl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(C2CCN(c3ccccc3F)C(=O)C2)c(=O)c1Cl
InChIInChI=1S/C16H16ClFN4O2/c1-19-12-9-20-22(16(24)15(12)17)10-6-7-21(14(23)8-10)13-5-3-2-4-11(13)18/h2-5,9-10,19H,6-8H2,1H3
InChIKeyJXFQWSSUVCYTTR-UHFFFAOYSA-N
MW350.78 g/mol
LogP2.45
Rot. Bonds3

About 4-chloro-2-[1-(2-fluorophenyl)-2-oxopiperidin-4-yl]-5-(methylamino)pyridazin-3-one

4-chloro-2-[1-(2-fluorophenyl)-2-oxopiperidin-4-yl]-5-(methylamino)pyridazin-3-one (PubChem CID 170115489) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is 4-chloro-2-[1-(2-fluorophenyl)-2-oxopiperidin-4-yl]-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[1-(2-fluorophenyl)-2-oxopiperidin-4-yl]-5-(methylamino)pyridazin-3-one
PubChem CID170115489
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC Name4-chloro-2-[1-(2-fluorophenyl)-2-oxopiperidin-4-yl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(C2CCN(c3ccccc3F)C(=O)C2)c(=O)c1Cl
InChIInChI=1S/C16H16ClFN4O2/c1-19-12-9-20-22(16(24)15(12)17)10-6-7-21(14(23)8-10)13-5-3-2-4-11(13)18/h2-5,9-10,19H,6-8H2,1H3
InChIKeyJXFQWSSUVCYTTR-UHFFFAOYSA-N
XLogP2.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(2-fluorophenyl)-2-oxopiperidin-4-yl]-5-(methylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-[1-(2-fluorophenyl)-2-oxopiperidin-4-yl]-5-(methylamino)pyridazin-3-one (CID 170115489) is 4-chloro-2-[1-(2-fluorophenyl)-2-oxopiperidin-4-yl]-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[1-(2-fluorophenyl)-2-oxopiperidin-4-yl]-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[1-(2-fluorophenyl)-2-oxopiperidin-4-yl]-5-(methylamino)pyridazin-3-one is CNc1cnn(C2CCN(c3ccccc3F)C(=O)C2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-[1-(2-fluorophenyl)-2-oxopiperidin-4-yl]-5-(methylamino)pyridazin-3-one?
The InChIKey is JXFQWSSUVCYTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2/c1-19-12-9-20-22(16(24)15(12)17)10-6-7-21(14(23)8-10)13-5-3-2-4-11(13)18/h2-5,9-10,19H,6-8H2,1H3.
What are the key properties of 4-chloro-2-[1-(2-fluorophenyl)-2-oxopiperidin-4-yl]-5-(methylamino)pyridazin-3-one?
4-chloro-2-[1-(2-fluorophenyl)-2-oxopiperidin-4-yl]-5-(methylamino)pyridazin-3-one has a molecular weight of 350.78 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(2-fluorophenyl)-2-oxopiperidin-4-yl]-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 170115489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).