2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C23H23FN6O — CID 126863783

IUPAC2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CCN(Cc2cn3cc(F)ccc3n2)CC1
InChIInChI=1S/C23H23FN6O/c24-19-1-3-22-26-20(16-29(22)14-19)15-28-11-7-17(8-12-28)13-30-23(31)4-2-21(27-30)18-5-9-25-10-6-18/h1-6,9-10,14,16-17H,7-8,11-13,15H2
InChIKeyRETQDLKSLDJFCO-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.00
Rot. Bonds5

About 2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126863783) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126863783
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CCN(Cc2cn3cc(F)ccc3n2)CC1
InChIInChI=1S/C23H23FN6O/c24-19-1-3-22-26-20(16-29(22)14-19)15-28-11-7-17(8-12-28)13-30-23(31)4-2-21(27-30)18-5-9-25-10-6-18/h1-6,9-10,14,16-17H,7-8,11-13,15H2
InChIKeyRETQDLKSLDJFCO-UHFFFAOYSA-N
XLogP3.00
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864225
2-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863512
2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863518
2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863526
2-[[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863595
2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863598
2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863759
2-[[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864374
6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 139023445
2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 139027566
2-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126855700
2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 46958873

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126863783) is 2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is O=c1ccc(-c2ccncc2)nn1CC1CCN(Cc2cn3cc(F)ccc3n2)CC1.
What is the InChIKey of 2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is RETQDLKSLDJFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c24-19-1-3-22-26-20(16-29(22)14-19)15-28-11-7-17(8-12-28)13-30-23(31)4-2-21(27-30)18-5-9-25-10-6-18/h1-6,9-10,14,16-17H,7-8,11-13,15H2.
What are the key properties of 2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 418.48 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126863783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).