2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one

C22H29FN4O2 — CID 126930953

IUPAC2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
SMILESO=c1ccc(N2CCCCC2CNC2CCOCC2)nn1Cc1cccc(F)c1
InChIInChI=1S/C22H29FN4O2/c23-18-5-3-4-17(14-18)16-27-22(28)8-7-21(25-27)26-11-2-1-6-20(26)15-24-19-9-12-29-13-10-19/h3-5,7-8,14,19-20,24H,1-2,6,9-13,15-16H2
InChIKeyOWGVLSSJUBTQEG-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.56
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one

2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 126930953) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
PubChem CID126930953
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC Name2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
SMILESO=c1ccc(N2CCCCC2CNC2CCOCC2)nn1Cc1cccc(F)c1
InChIInChI=1S/C22H29FN4O2/c23-18-5-3-4-17(14-18)16-27-22(28)8-7-21(25-27)26-11-2-1-6-20(26)15-24-19-9-12-29-13-10-19/h3-5,7-8,14,19-20,24H,1-2,6,9-13,15-16H2
InChIKeyOWGVLSSJUBTQEG-UHFFFAOYSA-N
XLogP2.56
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one with MolForge

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Related Compounds

N-[[1-[1-[(3-fluorophenyl)methyl]-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide
CID 126930897
2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930955
2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-thiazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126930936
2-[(3-fluorophenyl)methyl]-6-[2-[[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930970
2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one
CID 159697521
N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]morpholine-4-sulfonamide
CID 126930689
2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931396
6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 122279363
N-[[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62592511
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclohexanecarboxamide
CID 19405937
N-[3-[[3-(6-fluoroindol-1-yl)-6-oxopyridazin-1-yl]methyl]phenyl]-4-piperidin-1-ylpiperidine-1-carboxamide
CID 71516155
N-[[1-(3-fluoro-2-pyridinyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62734943

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one (CID 126930953) is 2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one is O=c1ccc(N2CCCCC2CNC2CCOCC2)nn1Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is OWGVLSSJUBTQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c23-18-5-3-4-17(14-18)16-27-22(28)8-7-21(25-27)26-11-2-1-6-20(26)15-24-19-9-12-29-13-10-19/h3-5,7-8,14,19-20,24H,1-2,6,9-13,15-16H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 400.50 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-6-[2-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 126930953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).