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

C17H23N5O2 — CID 163352851

IUPAC[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1nc2ccc(N3CCN(C(=O)C4CCCO4)CC3)nn2c1C
InChIInChI=1S/C17H23N5O2/c1-12-13(2)22-15(18-12)5-6-16(19-22)20-7-9-21(10-8-20)17(23)14-4-3-11-24-14/h5-6,14H,3-4,7-11H2,1-2H3
InChIKeyARQPYJUBXXRVMP-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.17
Rot. Bonds2

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

[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 163352851) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID163352851
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1nc2ccc(N3CCN(C(=O)C4CCCO4)CC3)nn2c1C
InChIInChI=1S/C17H23N5O2/c1-12-13(2)22-15(18-12)5-6-16(19-22)20-7-9-21(10-8-20)17(23)14-4-3-11-24-14/h5-6,14H,3-4,7-11H2,1-2H3
InChIKeyARQPYJUBXXRVMP-UHFFFAOYSA-N
XLogP1.17
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 133488313
[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121031849
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 42917862
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122279219
[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95242996
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95243006
6-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]pyridazine-3-carboxylic acid
CID 138386441
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121053900
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122340192
N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 146091914
[(2S)-oxolan-2-yl]-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 95875384

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 163352851) is [4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is Cc1nc2ccc(N3CCN(C(=O)C4CCCO4)CC3)nn2c1C.
What is the InChIKey of [4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is ARQPYJUBXXRVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-13(2)22-15(18-12)5-6-16(19-22)20-7-9-21(10-8-20)17(23)14-4-3-11-24-14/h5-6,14H,3-4,7-11H2,1-2H3.
What are the key properties of [4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 163352851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).