2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one

C20H23N7O — CID 126915576

IUPAC2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCc1ccc(N2CCN(CCn3nc(-c4cccnc4)ccc3=O)CC2)nn1
InChIInChI=1S/C20H23N7O/c1-16-4-6-19(23-22-16)26-12-9-25(10-13-26)11-14-27-20(28)7-5-18(24-27)17-3-2-8-21-15-17/h2-8,15H,9-14H2,1H3
InChIKeySIWGNQAFEOREIY-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.23
Rot. Bonds5

About 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one

2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 126915576) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID126915576
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCc1ccc(N2CCN(CCn3nc(-c4cccnc4)ccc3=O)CC2)nn1
InChIInChI=1S/C20H23N7O/c1-16-4-6-19(23-22-16)26-12-9-25(10-13-26)11-14-27-20(28)7-5-18(24-27)17-3-2-8-21-15-17/h2-8,15H,9-14H2,1H3
InChIKeySIWGNQAFEOREIY-UHFFFAOYSA-N
XLogP1.23
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one with MolForge

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Related Compounds

6-pyridin-3-yl-2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126915633
2-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929341
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913367
2-[2-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915614
2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915649
2-[4-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126915561
2-[2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915553
2-[2-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915698
6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126913622
6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126915702
2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915844
2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915536

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one (CID 126915576) is 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one is Cc1ccc(N2CCN(CCn3nc(-c4cccnc4)ccc3=O)CC2)nn1.
What is the InChIKey of 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is SIWGNQAFEOREIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-16-4-6-19(23-22-16)26-12-9-25(10-13-26)11-14-27-20(28)7-5-18(24-27)17-3-2-8-21-15-17/h2-8,15H,9-14H2,1H3.
What are the key properties of 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one?
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 377.45 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 126915576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).