5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one

C25H28N4O2 — CID 24996645

IUPAC5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one
SMILESCc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C25H28N4O2/c1-18-23(17-25(30)29(27-18)24-7-2-3-14-26-24)19-8-10-21(11-9-19)31-22-12-15-28(16-13-22)20-5-4-6-20/h2-3,7-11,14,17,20,22H,4-6,12-13,15-16H2,1H3
InChIKeyAUHYFUJMJOAHEZ-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.00
Rot. Bonds5

About 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one

5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one (PubChem CID 24996645) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one
PubChem CID24996645
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one
SMILESCc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C25H28N4O2/c1-18-23(17-25(30)29(27-18)24-7-2-3-14-26-24)19-8-10-21(11-9-19)31-22-12-15-28(16-13-22)20-5-4-6-20/h2-3,7-11,14,17,20,22H,4-6,12-13,15-16H2,1H3
InChIKeyAUHYFUJMJOAHEZ-UHFFFAOYSA-N
XLogP4.00
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one with MolForge

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Related Compounds

3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine
CID 68789971
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one
CID 58522828
4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-propan-2-ylpyridin-2-one
CID 11710659
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one
CID 58522853
4-(1-cyclobutylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42395577
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one
CID 172752765
3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine
CID 141120874
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
CID 11501983
2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide
CID 68710362
7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
CID 171620605
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 143692391
3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one
CID 59830596

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one?
The IUPAC name of 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one (CID 24996645) is 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one.
What is the SMILES notation for 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one?
The canonical SMILES for 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one is Cc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one?
The InChIKey is AUHYFUJMJOAHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18-23(17-25(30)29(27-18)24-7-2-3-14-26-24)19-8-10-21(11-9-19)31-22-12-15-28(16-13-22)20-5-4-6-20/h2-3,7-11,14,17,20,22H,4-6,12-13,15-16H2,1H3.
What are the key properties of 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one?
5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one has a molecular weight of 416.53 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one is sourced from PubChem (CID 24996645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).