2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C19H22N6O2 — CID 126863518

IUPAC2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCc1nc(CN2CCC(Cn3nc(-c4ccncc4)ccc3=O)CC2)no1
InChIInChI=1S/C19H22N6O2/c1-14-21-18(23-27-14)13-24-10-6-15(7-11-24)12-25-19(26)3-2-17(22-25)16-4-8-20-9-5-16/h2-5,8-9,15H,6-7,10-13H2,1H3
InChIKeySAVCCLIAAKQSAK-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.91
Rot. Bonds5

About 2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126863518) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126863518
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCc1nc(CN2CCC(Cn3nc(-c4ccncc4)ccc3=O)CC2)no1
InChIInChI=1S/C19H22N6O2/c1-14-21-18(23-27-14)13-24-10-6-15(7-11-24)12-25-19(26)3-2-17(22-25)16-4-8-20-9-5-16/h2-5,8-9,15H,6-7,10-13H2,1H3
InChIKeySAVCCLIAAKQSAK-UHFFFAOYSA-N
XLogP1.91
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863512
2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929789
2-[[1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863783
2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863499
2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863598
2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863543
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929655
2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863759
2-[[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926223
2-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863466

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126863518) is 2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is Cc1nc(CN2CCC(Cn3nc(-c4ccncc4)ccc3=O)CC2)no1.
What is the InChIKey of 2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is SAVCCLIAAKQSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-14-21-18(23-27-14)13-24-10-6-15(7-11-24)12-25-19(26)3-2-17(22-25)16-4-8-20-9-5-16/h2-5,8-9,15H,6-7,10-13H2,1H3.
What are the key properties of 2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 366.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126863518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).