2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one

C21H23N5O2S — CID 126915536

IUPAC2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCc1ccc(C(=O)N2CCN(CCn3nc(-c4cccnc4)ccc3=O)CC2)s1
InChIInChI=1S/C21H23N5O2S/c1-16-4-6-19(29-16)21(28)25-12-9-24(10-13-25)11-14-26-20(27)7-5-18(23-26)17-3-2-8-22-15-17/h2-8,15H,9-14H2,1H3
InChIKeyCCDVWNDVKFPHGO-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.13
Rot. Bonds5

About 2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one

2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 126915536) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID126915536
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCc1ccc(C(=O)N2CCN(CCn3nc(-c4cccnc4)ccc3=O)CC2)s1
InChIInChI=1S/C21H23N5O2S/c1-16-4-6-19(29-16)21(28)25-12-9-24(10-13-25)11-14-26-20(27)7-5-18(23-26)17-3-2-8-22-15-17/h2-8,15H,9-14H2,1H3
InChIKeyCCDVWNDVKFPHGO-UHFFFAOYSA-N
XLogP2.13
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one with MolForge

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916355
2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915649
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915576
2-[2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915553
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
CID 121052352
2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915803
2-[2-[4-(3,4-dihydro-1H-isochromene-1-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915532
2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one
CID 52903522
2-[2-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915614
2-[4-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126915561
2-[2-[4-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915784
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one (CID 126915536) is 2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one is Cc1ccc(C(=O)N2CCN(CCn3nc(-c4cccnc4)ccc3=O)CC2)s1.
What is the InChIKey of 2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is CCDVWNDVKFPHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-16-4-6-19(29-16)21(28)25-12-9-24(10-13-25)11-14-26-20(27)7-5-18(23-26)17-3-2-8-22-15-17/h2-8,15H,9-14H2,1H3.
What are the key properties of 2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one?
2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 409.52 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 126915536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).