[4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone

C20H23N5O2 — CID 53166436

IUPAC[4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone
SMILESCOc1ccc2nc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cn2n1
InChIInChI=1S/C20H23N5O2/c1-14-4-5-15(2)17(12-14)23-8-10-24(11-9-23)20(26)16-13-25-18(21-16)6-7-19(22-25)27-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyVWPPJBXVANCTBU-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.32
Rot. Bonds3

About [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone

[4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone (PubChem CID 53166436) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone
PubChem CID53166436
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone
SMILESCOc1ccc2nc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cn2n1
InChIInChI=1S/C20H23N5O2/c1-14-4-5-15(2)17(12-14)23-8-10-24(11-9-23)20(26)16-13-25-18(21-16)6-7-19(22-25)27-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyVWPPJBXVANCTBU-UHFFFAOYSA-N
XLogP2.32
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone with MolForge

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Related Compounds

(6-chloroimidazo[1,2-b]pyridazin-2-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 87051170
(6-ethoxyimidazo[1,2-b]pyridazin-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 53166458
[4-(2,5-dimethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 87051259
(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 87050991
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113075435
(5-chloro-2-methoxyphenyl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 71822598
6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051013
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
CID 155798999
(6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 121167441
ethane;1-methyl-4-(6-methylimidazo[1,2-b]pyridazine-2-carbonyl)piperazin-2-one
CID 171811240
[1-(1-adamantyl)-4-nitropyrazol-3-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 46248882
1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one
CID 20856060

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone?
The IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone (CID 53166436) is [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone.
What is the SMILES notation for [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone?
The canonical SMILES for [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone is COc1ccc2nc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cn2n1.
What is the InChIKey of [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone?
The InChIKey is VWPPJBXVANCTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-4-5-15(2)17(12-14)23-8-10-24(11-9-23)20(26)16-13-25-18(21-16)6-7-19(22-25)27-3/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone?
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone has a molecular weight of 365.44 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)piperazin-1-yl]-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)methanone is sourced from PubChem (CID 53166436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).