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

C15H16ClFN4O — CID 133330747

IUPAC5-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCC(Nc3ccccc3F)CC2)c1Cl
InChIInChI=1S/C15H16ClFN4O/c16-14-13(9-18-20-15(14)22)21-7-5-10(6-8-21)19-12-4-2-1-3-11(12)17/h1-4,9-10,19H,5-8H2,(H,20,22)
InChIKeyXRQFSLDKAOEKNW-UHFFFAOYSA-N
MW322.77 g/mol
LogP2.64
Rot. Bonds3

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

5-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 133330747) has the molecular formula C15H16ClFN4O and a molecular weight of 322.77 g/mol. Its IUPAC name is 5-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID133330747
Molecular FormulaC15H16ClFN4O
Molecular Weight322.77 g/mol
Exact Mass322.10
IUPAC Name5-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCC(Nc3ccccc3F)CC2)c1Cl
InChIInChI=1S/C15H16ClFN4O/c16-14-13(9-18-20-15(14)22)21-7-5-10(6-8-21)19-12-4-2-1-3-11(12)17/h1-4,9-10,19H,5-8H2,(H,20,22)
InChIKeyXRQFSLDKAOEKNW-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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Related Compounds

2-benzyl-4-chloro-5-[4-(2-fluoroanilino)piperidin-1-yl]pyridazin-3-one
CID 133330810
5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one
CID 47151514
5-chloro-4-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-1H-pyridazin-6-one
CID 133411831
5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one
CID 97209139
4-chloro-5-[4-(2-fluoroanilino)piperidin-1-yl]-2-(4-nitrophenyl)pyridazin-3-one
CID 133330827
5-chloro-2-[4-(2-fluoroanilino)piperidin-1-yl]benzonitrile
CID 133330842
5-chloro-4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 51103947
5-chloro-4-(4-methylazepan-1-yl)-1H-pyridazin-6-one
CID 71935982
N-(2-fluorophenyl)-1-(2-nitrophenyl)piperidin-4-amine
CID 133330809
N-(2-fluorophenyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166973
5-chloro-4-(cyclobutylamino)-1H-pyridazin-6-one
CID 78950467
tert-butyl N-[(3S)-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamate
CID 133380878

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-1H-pyridazin-6-one (CID 133330747) is 5-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCC(Nc3ccccc3F)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is XRQFSLDKAOEKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O/c16-14-13(9-18-20-15(14)22)21-7-5-10(6-8-21)19-12-4-2-1-3-11(12)17/h1-4,9-10,19H,5-8H2,(H,20,22).
What are the key properties of 5-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-(2-fluoroanilino)piperidin-1-yl]-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-[4-(2-fluoroanilino)piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 133330747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).