1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one

C19H28N6O — CID 119068341

IUPAC1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
SMILESCN1CCC(CCC(=O)N2CCN(c3ccc4nccn4n3)CC2)CC1
InChIInChI=1S/C19H28N6O/c1-22-9-6-16(7-10-22)2-5-19(26)24-14-12-23(13-15-24)18-4-3-17-20-8-11-25(17)21-18/h3-4,8,11,16H,2,5-7,9-10,12-15H2,1H3
InChIKeyJMWBOOPURKXDAC-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.50
Rot. Bonds4

About 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one

1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one (PubChem CID 119068341) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
PubChem CID119068341
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
SMILESCN1CCC(CCC(=O)N2CCN(c3ccc4nccn4n3)CC2)CC1
InChIInChI=1S/C19H28N6O/c1-22-9-6-16(7-10-22)2-5-19(26)24-14-12-23(13-15-24)18-4-3-17-20-8-11-25(17)21-18/h3-4,8,11,16H,2,5-7,9-10,12-15H2,1H3
InChIKeyJMWBOOPURKXDAC-UHFFFAOYSA-N
XLogP1.50
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one with MolForge

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Related Compounds

1-[4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 91830679
1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-ol
CID 131704101
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-morpholin-4-ylbutan-1-one
CID 90650152
3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 118794592
5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
CID 119062976
(5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
CID 126431316
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 77089008
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 90653625
formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 154904776
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 141143818
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
CID 118760650
6-piperidin-1-ylimidazo[1,2-b]pyridazine
CID 23657730

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one?
The IUPAC name of 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one (CID 119068341) is 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one?
The canonical SMILES for 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one is CN1CCC(CCC(=O)N2CCN(c3ccc4nccn4n3)CC2)CC1.
What is the InChIKey of 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one?
The InChIKey is JMWBOOPURKXDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-22-9-6-16(7-10-22)2-5-19(26)24-14-12-23(13-15-24)18-4-3-17-20-8-11-25(17)21-18/h3-4,8,11,16H,2,5-7,9-10,12-15H2,1H3.
What are the key properties of 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one?
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one has a molecular weight of 356.47 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 119068341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).