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

C19H23N7O2 — CID 126864481

IUPAC2-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2cccn2)nn1CC1CCN(Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C19H23N7O2/c27-18-5-4-17(25-9-1-8-20-25)22-26(18)12-14-6-10-24(11-7-14)13-16-21-19(28-23-16)15-2-3-15/h1,4-5,8-9,14-15H,2-3,6-7,10-13H2
InChIKeyXWDHRIBIZQMTIU-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.60
Rot. Bonds6

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

2-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one (PubChem CID 126864481) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
PubChem CID126864481
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name2-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2cccn2)nn1CC1CCN(Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C19H23N7O2/c27-18-5-4-17(25-9-1-8-20-25)22-26(18)12-14-6-10-24(11-7-14)13-16-21-19(28-23-16)15-2-3-15/h1,4-5,8-9,14-15H,2-3,6-7,10-13H2
InChIKeyXWDHRIBIZQMTIU-UHFFFAOYSA-N
XLogP1.60
TPSA94.87 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one (CID 126864481) is 2-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one is O=c1ccc(-n2cccn2)nn1CC1CCN(Cc2noc(C3CC3)n2)CC1.
What is the InChIKey of 2-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
The InChIKey is XWDHRIBIZQMTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c27-18-5-4-17(25-9-1-8-20-25)22-26(18)12-14-6-10-24(11-7-14)13-16-21-19(28-23-16)15-2-3-15/h1,4-5,8-9,14-15H,2-3,6-7,10-13H2.
What are the key properties of 2-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one?
2-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one has a molecular weight of 381.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one is sourced from PubChem (CID 126864481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).