2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C21H24N6O2 — CID 126863598

IUPAC2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1cnccn1CCN1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C21H24N6O2/c28-20-2-1-19(18-3-7-22-8-4-18)24-27(20)16-17-5-10-25(11-6-17)13-14-26-12-9-23-15-21(26)29/h1-4,7-9,12,15,17H,5-6,10-11,13-14,16H2
InChIKeyCJJANSFIWIABJZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.27
Rot. Bonds6

About 2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126863598) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126863598
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1cnccn1CCN1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C21H24N6O2/c28-20-2-1-19(18-3-7-22-8-4-18)24-27(20)16-17-5-10-25(11-6-17)13-14-26-12-9-23-15-21(26)29/h1-4,7-9,12,15,17H,5-6,10-11,13-14,16H2
InChIKeyCJJANSFIWIABJZ-UHFFFAOYSA-N
XLogP1.27
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863595
2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863759
2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863526
2-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863512
2-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863466
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-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863499
2-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126855700
2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863543
2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863740
2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863563
2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929767

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126863598) is 2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is O=c1cnccn1CCN1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1.
What is the InChIKey of 2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is CJJANSFIWIABJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-20-2-1-19(18-3-7-22-8-4-18)24-27(20)16-17-5-10-25(11-6-17)13-14-26-12-9-23-15-21(26)29/h1-4,7-9,12,15,17H,5-6,10-11,13-14,16H2.
What are the key properties of 2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 392.46 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126863598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).