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

C21H25N7O — CID 126915649

IUPAC2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCc1cncc(CN2CCN(CCn3nc(-c4cccnc4)ccc3=O)CC2)n1
InChIInChI=1S/C21H25N7O/c1-17-13-23-15-19(24-17)16-27-9-7-26(8-10-27)11-12-28-21(29)5-4-20(25-28)18-3-2-6-22-14-18/h2-6,13-15H,7-12,16H2,1H3
InChIKeyBNDCFGULFFAVKE-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.22
Rot. Bonds6

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

2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 126915649) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID126915649
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCc1cncc(CN2CCN(CCn3nc(-c4cccnc4)ccc3=O)CC2)n1
InChIInChI=1S/C21H25N7O/c1-17-13-23-15-19(24-17)16-27-9-7-26(8-10-27)11-12-28-21(29)5-4-20(25-28)18-3-2-6-22-14-18/h2-6,13-15H,7-12,16H2,1H3
InChIKeyBNDCFGULFFAVKE-UHFFFAOYSA-N
XLogP1.22
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925818
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-[4-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126915561
2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915536
2-[2-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915614
2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one
CID 52903522
6-pyridin-3-yl-2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126915633
6-pyridin-3-yl-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126915702
2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 147180179
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-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913735

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one (CID 126915649) is 2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one is Cc1cncc(CN2CCN(CCn3nc(-c4cccnc4)ccc3=O)CC2)n1.
What is the InChIKey of 2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is BNDCFGULFFAVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-17-13-23-15-19(24-17)16-27-9-7-26(8-10-27)11-12-28-21(29)5-4-20(25-28)18-3-2-6-22-14-18/h2-6,13-15H,7-12,16H2,1H3.
What are the key properties of 2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one?
2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 391.48 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 126915649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).