2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one

C26H30N4O2 — CID 3550185

IUPAC2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(c4cccc(C)c4)C(C)C3)n2)cc1
InChIInChI=1S/C26H30N4O2/c1-19-7-9-22(10-8-19)24-11-12-26(32)30(27-24)14-13-25(31)28-15-16-29(21(3)18-28)23-6-4-5-20(2)17-23/h4-12,17,21H,13-16,18H2,1-3H3
InChIKeyCVYNROFAIGVRGP-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.65
Rot. Bonds5

About 2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one

2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one (PubChem CID 3550185) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one
PubChem CID3550185
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(c4cccc(C)c4)C(C)C3)n2)cc1
InChIInChI=1S/C26H30N4O2/c1-19-7-9-22(10-8-19)24-11-12-26(32)30(27-24)14-13-25(31)28-15-16-29(21(3)18-28)23-6-4-5-20(2)17-23/h4-12,17,21H,13-16,18H2,1-3H3
InChIKeyCVYNROFAIGVRGP-UHFFFAOYSA-N
XLogP3.65
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one (CID 3550185) is 2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CCC(=O)N3CCN(c4cccc(C)c4)C(C)C3)n2)cc1.
What is the InChIKey of 2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one?
The InChIKey is CVYNROFAIGVRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19-7-9-22(10-8-19)24-11-12-26(32)30(27-24)14-13-25(31)28-15-16-29(21(3)18-28)23-6-4-5-20(2)17-23/h4-12,17,21H,13-16,18H2,1-3H3.
What are the key properties of 2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one?
2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one has a molecular weight of 430.55 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 3550185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).