2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one

C20H25N7O2 — CID 126916214

IUPAC2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESCn1ccc(CN2CCN(CCn3nc(-n4cccn4)ccc3=O)CC2)cc1=O
InChIInChI=1S/C20H25N7O2/c1-23-8-5-17(15-20(23)29)16-25-11-9-24(10-12-25)13-14-27-19(28)4-3-18(22-27)26-7-2-6-21-26/h2-8,15H,9-14,16H2,1H3
InChIKeyOFSXRCCUXHFYCF-UHFFFAOYSA-N
MW395.47 g/mol
LogP-0.05
Rot. Bonds6

About 2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one

2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one (PubChem CID 126916214) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
PubChem CID126916214
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
SMILESCn1ccc(CN2CCN(CCn3nc(-n4cccn4)ccc3=O)CC2)cc1=O
InChIInChI=1S/C20H25N7O2/c1-23-8-5-17(15-20(23)29)16-25-11-9-24(10-12-25)13-14-27-19(28)4-3-18(22-27)26-7-2-6-21-26/h2-8,15H,9-14,16H2,1H3
InChIKeyOFSXRCCUXHFYCF-UHFFFAOYSA-N
XLogP-0.05
TPSA81.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one with MolForge

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Related Compounds

1-methyl-4-[[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]methyl]pyridin-2-one
CID 146125264
2-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916152
2-[2-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916186
2-[2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916224
2-[2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916107
2-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916132
2-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916157
2-[2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916136
5-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 126916272
6-pyrazol-1-yl-2-[2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916286
2-[2-[4-(1,3-benzothiazole-2-carbonyl)piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126916069
2-[4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126916281

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one (CID 126916214) is 2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one is Cn1ccc(CN2CCN(CCn3nc(-n4cccn4)ccc3=O)CC2)cc1=O.
What is the InChIKey of 2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one?
The InChIKey is OFSXRCCUXHFYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-23-8-5-17(15-20(23)29)16-25-11-9-24(10-12-25)13-14-27-19(28)4-3-18(22-27)26-7-2-6-21-26/h2-8,15H,9-14,16H2,1H3.
What are the key properties of 2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one?
2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one has a molecular weight of 395.47 g/mol, XLogP of -0.05, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]ethyl]-6-pyrazol-1-ylpyridazin-3-one is sourced from PubChem (CID 126916214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).