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

C24H26N4O2 — CID 24993502

IUPAC6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nn1-c1ccccn1
InChIInChI=1S/C24H26N4O2/c29-24-12-11-22(26-28(24)23-6-1-2-15-25-23)18-7-9-20(10-8-18)30-21-13-16-27(17-14-21)19-4-3-5-19/h1-2,6-12,15,19,21H,3-5,13-14,16-17H2
InChIKeyGDRKISYBEKBJNO-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.69
Rot. Bonds5

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

6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylpyridazin-3-one (PubChem CID 24993502) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylpyridazin-3-one
PubChem CID24993502
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nn1-c1ccccn1
InChIInChI=1S/C24H26N4O2/c29-24-12-11-22(26-28(24)23-6-1-2-15-25-23)18-7-9-20(10-8-18)30-21-13-16-27(17-14-21)19-4-3-5-19/h1-2,6-12,15,19,21H,3-5,13-14,16-17H2
InChIKeyGDRKISYBEKBJNO-UHFFFAOYSA-N
XLogP3.69
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylpyridazin-3-one?
The IUPAC name of 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylpyridazin-3-one (CID 24993502) is 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylpyridazin-3-one.
What is the SMILES notation for 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylpyridazin-3-one?
The canonical SMILES for 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylpyridazin-3-one is O=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)nn1-c1ccccn1.
What is the InChIKey of 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylpyridazin-3-one?
The InChIKey is GDRKISYBEKBJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-24-12-11-22(26-28(24)23-6-1-2-15-25-23)18-7-9-20(10-8-18)30-21-13-16-27(17-14-21)19-4-3-5-19/h1-2,6-12,15,19,21H,3-5,13-14,16-17H2.
What are the key properties of 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylpyridazin-3-one?
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylpyridazin-3-one has a molecular weight of 402.50 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-2-ylpyridazin-3-one is sourced from PubChem (CID 24993502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).