1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone

C22H21N5O — CID 77089008

IUPAC1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)N1CCN(c2ccc3nccn3n2)CC1
InChIInChI=1S/C22H21N5O/c28-22(16-17-5-6-18-3-1-2-4-19(18)15-17)26-13-11-25(12-14-26)21-8-7-20-23-9-10-27(20)24-21/h1-10,15H,11-14,16H2
InChIKeyXCUCFWUAYUNWLT-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.77
Rot. Bonds3

About 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone

1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone (PubChem CID 77089008) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone
PubChem CID77089008
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)N1CCN(c2ccc3nccn3n2)CC1
InChIInChI=1S/C22H21N5O/c28-22(16-17-5-6-18-3-1-2-4-19(18)15-17)26-13-11-25(12-14-26)21-8-7-20-23-9-10-27(20)24-21/h1-10,15H,11-14,16H2
InChIKeyXCUCFWUAYUNWLT-UHFFFAOYSA-N
XLogP2.77
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone with MolForge

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Related Compounds

ethyl 6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38783852
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide
CID 68738298
6-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 134310587
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 119068341
1-(4-acetyl-1,4-diazepan-1-yl)-2-naphthalen-2-ylethanone
CID 134061666
(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
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-morpholin-4-ylbutan-1-one
CID 90650152
2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 108741549
N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide
CID 55647098
1-[4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 91830679

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone?
The IUPAC name of 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone (CID 77089008) is 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone is O=C(Cc1ccc2ccccc2c1)N1CCN(c2ccc3nccn3n2)CC1.
What is the InChIKey of 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone?
The InChIKey is XCUCFWUAYUNWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(16-17-5-6-18-3-1-2-4-19(18)15-17)26-13-11-25(12-14-26)21-8-7-20-23-9-10-27(20)24-21/h1-10,15H,11-14,16H2.
What are the key properties of 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone?
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone has a molecular weight of 371.44 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-naphthalen-2-ylethanone is sourced from PubChem (CID 77089008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).