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

C23H25N5O2 — CID 24993175

IUPAC6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-pyridin-2-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)nn1-c1ccccn1
InChIInChI=1S/C23H25N5O2/c29-23-10-8-20(26-28(23)21-6-1-2-13-24-21)17-7-9-22(25-16-17)30-19-11-14-27(15-12-19)18-4-3-5-18/h1-2,6-10,13,16,18-19H,3-5,11-12,14-15H2
InChIKeyXORDKZQUPKXDPX-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.09
Rot. Bonds5

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

6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-pyridin-2-ylpyridazin-3-one (PubChem CID 24993175) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-pyridin-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-pyridin-2-ylpyridazin-3-one
PubChem CID24993175
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-pyridin-2-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)nn1-c1ccccn1
InChIInChI=1S/C23H25N5O2/c29-23-10-8-20(26-28(23)21-6-1-2-13-24-21)17-7-9-22(25-16-17)30-19-11-14-27(15-12-19)18-4-3-5-18/h1-2,6-10,13,16,18-19H,3-5,11-12,14-15H2
InChIKeyXORDKZQUPKXDPX-UHFFFAOYSA-N
XLogP3.09
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-pyridin-2-ylpyridazin-3-one?
The IUPAC name of 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-pyridin-2-ylpyridazin-3-one (CID 24993175) is 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-pyridin-2-ylpyridazin-3-one.
What is the SMILES notation for 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-pyridin-2-ylpyridazin-3-one?
The canonical SMILES for 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-pyridin-2-ylpyridazin-3-one is O=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)nn1-c1ccccn1.
What is the InChIKey of 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-pyridin-2-ylpyridazin-3-one?
The InChIKey is XORDKZQUPKXDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-23-10-8-20(26-28(23)21-6-1-2-13-24-21)17-7-9-22(25-16-17)30-19-11-14-27(15-12-19)18-4-3-5-18/h1-2,6-10,13,16,18-19H,3-5,11-12,14-15H2.
What are the key properties of 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-pyridin-2-ylpyridazin-3-one?
6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-pyridin-2-ylpyridazin-3-one has a molecular weight of 403.49 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-2-pyridin-2-ylpyridazin-3-one is sourced from PubChem (CID 24993175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).