3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one

C18H19N7O2 — CID 121113735

IUPAC3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1nccn1-c1ccc(N2CCN(C(=O)c3ccc[nH]c3=O)CC2)nn1
InChIInChI=1S/C18H19N7O2/c1-13-19-7-8-25(13)16-5-4-15(21-22-16)23-9-11-24(12-10-23)18(27)14-3-2-6-20-17(14)26/h2-8H,9-12H2,1H3,(H,20,26)
InChIKeyDSCVEQHQGZJMEA-UHFFFAOYSA-N
MW365.40 g/mol
LogP0.62
Rot. Bonds3

About 3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one

3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 121113735) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID121113735
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1nccn1-c1ccc(N2CCN(C(=O)c3ccc[nH]c3=O)CC2)nn1
InChIInChI=1S/C18H19N7O2/c1-13-19-7-8-25(13)16-5-4-15(21-22-16)23-9-11-24(12-10-23)18(27)14-3-2-6-20-17(14)26/h2-8H,9-12H2,1H3,(H,20,26)
InChIKeyDSCVEQHQGZJMEA-UHFFFAOYSA-N
XLogP0.62
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

(2-chlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 71791222
1H-indol-3-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113928
(2,5-dimethylfuran-3-yl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113824
3H-benzimidazol-5-yl-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113874
(3,4-dimethylphenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113754
(3,5-dichlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121113880
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121113744
[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121113768
3-methyl-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one
CID 121113750
1-[2-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 121113938
1-[4-[6-(2-methylimidazol-1-yl)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 121114370
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 121113684

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 121113735) is 3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one is Cc1nccn1-c1ccc(N2CCN(C(=O)c3ccc[nH]c3=O)CC2)nn1.
What is the InChIKey of 3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is DSCVEQHQGZJMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-13-19-7-8-25(13)16-5-4-15(21-22-16)23-9-11-24(12-10-23)18(27)14-3-2-6-20-17(14)26/h2-8H,9-12H2,1H3,(H,20,26).
What are the key properties of 3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 365.40 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 121113735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).