[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone

C20H23N5O — CID 155798999

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
SMILESCc1cn2nc(C(=O)N3CCN(c4cccc(C)c4C)CC3)ccc2n1
InChIInChI=1S/C20H23N5O/c1-14-5-4-6-18(16(14)3)23-9-11-24(12-10-23)20(26)17-7-8-19-21-15(2)13-25(19)22-17/h4-8,13H,9-12H2,1-3H3
InChIKeyVXXCCTATWHAUTO-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.62
Rot. Bonds2

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone (PubChem CID 155798999) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
PubChem CID155798999
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
SMILESCc1cn2nc(C(=O)N3CCN(c4cccc(C)c4C)CC3)ccc2n1
InChIInChI=1S/C20H23N5O/c1-14-5-4-6-18(16(14)3)23-9-11-24(12-10-23)20(26)17-7-8-19-21-15(2)13-25(19)22-17/h4-8,13H,9-12H2,1-3H3
InChIKeyVXXCCTATWHAUTO-UHFFFAOYSA-N
XLogP2.62
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
CID 155799655
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110648961
(6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110678435
(6-ethoxyimidazo[1,2-b]pyridazin-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 53166458
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 51174933
(2-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 154854125
[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273559
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(propan-2-ylamino)pyridazin-3-yl]methanone
CID 109109462
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109360829

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone (CID 155798999) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone is Cc1cn2nc(C(=O)N3CCN(c4cccc(C)c4C)CC3)ccc2n1.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone?
The InChIKey is VXXCCTATWHAUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-5-4-6-18(16(14)3)23-9-11-24(12-10-23)20(26)17-7-8-19-21-15(2)13-25(19)22-17/h4-8,13H,9-12H2,1-3H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone has a molecular weight of 349.44 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone is sourced from PubChem (CID 155798999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).