2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one

C18H20N8O2 — CID 122338578

IUPAC2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1nc(N2CCN(C(=O)Cn3ncccc3=O)CC2)cc(-n2ccnc2)n1
InChIInChI=1S/C18H20N8O2/c1-14-21-15(11-16(22-14)25-6-5-19-13-25)23-7-9-24(10-8-23)18(28)12-26-17(27)3-2-4-20-26/h2-6,11,13H,7-10,12H2,1H3
InChIKeyINRUHXVNEBLYQD-UHFFFAOYSA-N
MW380.41 g/mol
LogP-0.12
Rot. Bonds4

About 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one

2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 122338578) has the molecular formula C18H20N8O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID122338578
Molecular FormulaC18H20N8O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1nc(N2CCN(C(=O)Cn3ncccc3=O)CC2)cc(-n2ccnc2)n1
InChIInChI=1S/C18H20N8O2/c1-14-21-15(11-16(22-14)25-6-5-19-13-25)23-7-9-24(10-8-23)18(28)12-26-17(27)3-2-4-20-26/h2-6,11,13H,7-10,12H2,1H3
InChIKeyINRUHXVNEBLYQD-UHFFFAOYSA-N
XLogP-0.12
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one with MolForge

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Related Compounds

2-(2-fluorophenyl)-1-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122338526
2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122339823
6-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122338462
2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 122337316
(2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 121073773
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 50944512
(4-chlorophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699121
4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 56700336
(3-fluorophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700227
(2,5-dimethylphenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699268
(3,4-dimethoxyphenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700148
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122338581

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 122338578) is 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one is Cc1nc(N2CCN(C(=O)Cn3ncccc3=O)CC2)cc(-n2ccnc2)n1.
What is the InChIKey of 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is INRUHXVNEBLYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2/c1-14-21-15(11-16(22-14)25-6-5-19-13-25)23-7-9-24(10-8-23)18(28)12-26-17(27)3-2-4-20-26/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 380.41 g/mol, XLogP of -0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 122338578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).