[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone

C20H28N6O — CID 119068865

IUPAC[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
SMILESO=C([C@@H]1CCCN2CCCC[C@H]12)N1CCN(c2ccc3nccn3n2)CC1
InChIInChI=1S/C20H28N6O/c27-20(16-4-3-10-23-9-2-1-5-17(16)23)25-14-12-24(13-15-25)19-7-6-18-21-8-11-26(18)22-19/h6-8,11,16-17H,1-5,9-10,12-15H2/t16-,17-/m1/s1
InChIKeyHKCYCIJWPOZNGT-IAGOWNOFSA-N
MW368.49 g/mol
LogP1.64
Rot. Bonds2

About [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone

[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone (PubChem CID 119068865) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
PubChem CID119068865
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
SMILESO=C([C@@H]1CCCN2CCCC[C@H]12)N1CCN(c2ccc3nccn3n2)CC1
InChIInChI=1S/C20H28N6O/c27-20(16-4-3-10-23-9-2-1-5-17(16)23)25-14-12-24(13-15-25)19-7-6-18-21-8-11-26(18)22-19/h6-8,11,16-17H,1-5,9-10,12-15H2/t16-,17-/m1/s1
InChIKeyHKCYCIJWPOZNGT-IAGOWNOFSA-N
XLogP1.64
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone?
The IUPAC name of [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone (CID 119068865) is [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone is O=C([C@@H]1CCCN2CCCC[C@H]12)N1CCN(c2ccc3nccn3n2)CC1.
What is the InChIKey of [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone?
The InChIKey is HKCYCIJWPOZNGT-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H28N6O/c27-20(16-4-3-10-23-9-2-1-5-17(16)23)25-14-12-24(13-15-25)19-7-6-18-21-8-11-26(18)22-19/h6-8,11,16-17H,1-5,9-10,12-15H2/t16-,17-/m1/s1.
What are the key properties of [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone?
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone has a molecular weight of 368.49 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 119068865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).