6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one

C22H28N6O2 — CID 11825714

IUPAC6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCCn2nc(-n3ccnc3)ccc2=O)CC1
InChIInChI=1S/C22H28N6O2/c1-30-20-7-3-2-6-19(20)26-16-14-25(15-17-26)11-4-5-12-28-22(29)9-8-21(24-28)27-13-10-23-18-27/h2-3,6-10,13,18H,4-5,11-12,14-17H2,1H3
InChIKeyBBYFUQNIDXWHPJ-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.04
Rot. Bonds8

About 6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one

6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one (PubChem CID 11825714) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one.

Molecular Properties

Compound Name6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one
PubChem CID11825714
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCCn2nc(-n3ccnc3)ccc2=O)CC1
InChIInChI=1S/C22H28N6O2/c1-30-20-7-3-2-6-19(20)26-16-14-25(15-17-26)11-4-5-12-28-22(29)9-8-21(24-28)27-13-10-23-18-27/h2-3,6-10,13,18H,4-5,11-12,14-17H2,1H3
InChIKeyBBYFUQNIDXWHPJ-UHFFFAOYSA-N
XLogP2.04
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one
CID 11080449
6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 53003918
2-[2-(azepan-1-yl)-2-oxoethyl]-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-one
CID 53023453
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 53023459
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
CID 52900090
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,2,4-triazine-3,5-dione
CID 139780418
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
CID 172860872
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53023455
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one?
The IUPAC name of 6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one (CID 11825714) is 6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one.
What is the SMILES notation for 6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one?
The canonical SMILES for 6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one is COc1ccccc1N1CCN(CCCCn2nc(-n3ccnc3)ccc2=O)CC1.
What is the InChIKey of 6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one?
The InChIKey is BBYFUQNIDXWHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-30-20-7-3-2-6-19(20)26-16-14-25(15-17-26)11-4-5-12-28-22(29)9-8-21(24-28)27-13-10-23-18-27/h2-3,6-10,13,18H,4-5,11-12,14-17H2,1H3.
What are the key properties of 6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one?
6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one has a molecular weight of 408.51 g/mol, XLogP of 2.04, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridazin-3-one is sourced from PubChem (CID 11825714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).