2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one

C22H25FN6O — CID 126930955

IUPAC2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
SMILESCc1cnc(NCC2CCCCN2c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1
InChIInChI=1S/C22H25FN6O/c1-16-12-25-20(14-24-16)26-13-19-7-2-3-10-28(19)21-8-9-22(30)29(27-21)15-17-5-4-6-18(23)11-17/h4-6,8-9,11-12,14,19H,2-3,7,10,13,15H2,1H3,(H,25,26)
InChIKeyYHGMKLWKXHTQJB-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.00
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one

2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 126930955) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
PubChem CID126930955
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
SMILESCc1cnc(NCC2CCCCN2c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1
InChIInChI=1S/C22H25FN6O/c1-16-12-25-20(14-24-16)26-13-19-7-2-3-10-28(19)21-8-9-22(30)29(27-21)15-17-5-4-6-18(23)11-17/h4-6,8-9,11-12,14,19H,2-3,7,10,13,15H2,1H3,(H,25,26)
InChIKeyYHGMKLWKXHTQJB-UHFFFAOYSA-N
XLogP3.00
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one with MolForge

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Related Compounds

2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-thiazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126930936
N-[[1-[1-[(3-fluorophenyl)methyl]-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide
CID 126930897
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-[(oxan-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126930953
2-[(3-fluorophenyl)methyl]-6-[2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]pyridazin-3-one
CID 159697521
6-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-2-propan-2-ylpyridazin-3-one
CID 126931111
2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930745
2-(2-hydroxycyclopentyl)-6-[2-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931459
2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyridine
CID 133482186
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclohexanecarboxamide
CID 19405937
2-propan-2-yl-6-[2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931158
2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one
CID 173107153

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one (CID 126930955) is 2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one is Cc1cnc(NCC2CCCCN2c2ccc(=O)n(Cc3cccc(F)c3)n2)cn1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is YHGMKLWKXHTQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-16-12-25-20(14-24-16)26-13-19-7-2-3-10-28(19)21-8-9-22(30)29(27-21)15-17-5-4-6-18(23)11-17/h4-6,8-9,11-12,14,19H,2-3,7,10,13,15H2,1H3,(H,25,26).
What are the key properties of 2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 408.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-6-[2-[[(5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 126930955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).