[4-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone

C24H26N4O2 — CID 42110710

IUPAC[4-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2ccc(-c3ccc(C)c(C)c3)nn2)CC1
InChIInChI=1S/C24H26N4O2/c1-17-8-9-19(16-18(17)2)21-10-11-23(26-25-21)27-12-14-28(15-13-27)24(29)20-6-4-5-7-22(20)30-3/h4-11,16H,12-15H2,1-3H3
InChIKeyKGIKNSZACYGLRA-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.73
Rot. Bonds4

About [4-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone

[4-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 42110710) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [4-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID42110710
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name[4-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2ccc(-c3ccc(C)c(C)c3)nn2)CC1
InChIInChI=1S/C24H26N4O2/c1-17-8-9-19(16-18(17)2)21-10-11-23(26-25-21)27-12-14-28(15-13-27)24(29)20-6-4-5-7-22(20)30-3/h4-11,16H,12-15H2,1-3H3
InChIKeyKGIKNSZACYGLRA-UHFFFAOYSA-N
XLogP3.73
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 42110710) is [4-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCN(c2ccc(-c3ccc(C)c(C)c3)nn2)CC1.
What is the InChIKey of [4-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is KGIKNSZACYGLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-8-9-19(16-18(17)2)21-10-11-23(26-25-21)27-12-14-28(15-13-27)24(29)20-6-4-5-7-22(20)30-3/h4-11,16H,12-15H2,1-3H3.
What are the key properties of [4-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 402.50 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 42110710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).