[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone

C20H24N4O — CID 109113344

IUPAC[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N3CCc4ccccc4C3)nn2)CC1
InChIInChI=1S/C20H24N4O/c1-15-8-11-23(12-9-15)20(25)18-6-7-19(22-21-18)24-13-10-16-4-2-3-5-17(16)14-24/h2-7,15H,8-14H2,1H3
InChIKeyWEFMDOWPSWEGBG-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.91
Rot. Bonds2

About [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone

[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109113344) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109113344
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(N3CCc4ccccc4C3)nn2)CC1
InChIInChI=1S/C20H24N4O/c1-15-8-11-23(12-9-15)20(25)18-6-7-19(22-21-18)24-13-10-16-4-2-3-5-17(16)14-24/h2-7,15H,8-14H2,1H3
InChIKeyWEFMDOWPSWEGBG-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116317
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 84570572
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109121734
(4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109113370
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116144
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323127
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113322
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109121757
N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
CID 109121742
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109121762
ethyl 4-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109121830
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 109113344) is [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(N3CCc4ccccc4C3)nn2)CC1.
What is the InChIKey of [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is WEFMDOWPSWEGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-8-11-23(12-9-15)20(25)18-6-7-19(22-21-18)24-13-10-16-4-2-3-5-17(16)14-24/h2-7,15H,8-14H2,1H3.
What are the key properties of [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone?
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 336.44 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109113344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).