4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one

C25H31N5O2 — CID 11144555

IUPAC4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1
InChIInChI=1S/C25H31N5O2/c1-28-25(31)22(19-21(27-28)20-9-4-3-5-10-20)26-13-8-14-29-15-17-30(18-16-29)23-11-6-7-12-24(23)32-2/h3-7,9-12,19,26H,8,13-18H2,1-2H3
InChIKeyOKNLSDNUZNHITO-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.08
Rot. Bonds8

About 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one

4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one (PubChem CID 11144555) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one
PubChem CID11144555
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1
InChIInChI=1S/C25H31N5O2/c1-28-25(31)22(19-21(27-28)20-9-4-3-5-10-20)26-13-8-14-29-15-17-30(18-16-29)23-11-6-7-12-24(23)32-2/h3-7,9-12,19,26H,8,13-18H2,1-2H3
InChIKeyOKNLSDNUZNHITO-UHFFFAOYSA-N
XLogP3.08
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 2653640
CID 2653640
CID 9695436
CID 9695436
CID 9827991
CID 9827991
CID 10005161
CID 10005161
CID 10074286
CID 10074286
CID 10434440
CID 10434440
CID 10916771
CID 10916771
CID 10928520
CID 10928520
CID 10940279
CID 10940279
CID 10949698
CID 10949698
CID 10949917
CID 10949917
CID 10994812
CID 10994812

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one?
The IUPAC name of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one (CID 11144555) is 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one.
What is the SMILES notation for 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one?
The canonical SMILES for 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one is COc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1.
What is the InChIKey of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one?
The InChIKey is OKNLSDNUZNHITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-28-25(31)22(19-21(27-28)20-9-4-3-5-10-20)26-13-8-14-29-15-17-30(18-16-29)23-11-6-7-12-24(23)32-2/h3-7,9-12,19,26H,8,13-18H2,1-2H3.
What are the key properties of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one?
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one has a molecular weight of 433.56 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-2-methyl-6-phenylpyridazin-3-one is sourced from PubChem (CID 11144555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).