6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one

C21H28N4O2 — CID 24992853

IUPAC6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)ccc1=O
InChIInChI=1S/C21H28N4O2/c1-15(2)25-21(26)9-7-19(23-25)16-6-8-20(22-14-16)27-18-10-12-24(13-11-18)17-4-3-5-17/h6-9,14-15,17-18H,3-5,10-13H2,1-2H3
InChIKeyAZFRDBSLRWKFPY-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.28
Rot. Bonds5

About 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one

6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one (PubChem CID 24992853) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one
PubChem CID24992853
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1nc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)ccc1=O
InChIInChI=1S/C21H28N4O2/c1-15(2)25-21(26)9-7-19(23-25)16-6-8-20(22-14-16)27-18-10-12-24(13-11-18)17-4-3-5-17/h6-9,14-15,17-18H,3-5,10-13H2,1-2H3
InChIKeyAZFRDBSLRWKFPY-UHFFFAOYSA-N
XLogP3.28
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one (CID 24992853) is 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one is CC(C)n1nc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)ccc1=O.
What is the InChIKey of 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one?
The InChIKey is AZFRDBSLRWKFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15(2)25-21(26)9-7-19(23-25)16-6-8-20(22-14-16)27-18-10-12-24(13-11-18)17-4-3-5-17/h6-9,14-15,17-18H,3-5,10-13H2,1-2H3.
What are the key properties of 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one?
6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one has a molecular weight of 368.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 24992853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).