(4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone

C20H26N6O — CID 109113370

IUPAC(4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone
SMILESCC1CCN(C(=O)c2ccc(N3CCN(c4ccccn4)CC3)nn2)CC1
InChIInChI=1S/C20H26N6O/c1-16-7-10-26(11-8-16)20(27)17-5-6-19(23-22-17)25-14-12-24(13-15-25)18-4-2-3-9-21-18/h2-6,9,16H,7-8,10-15H2,1H3
InChIKeyIGGHFFOKLWMTQN-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.07
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone

(4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone (PubChem CID 109113370) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone
PubChem CID109113370
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name(4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone
SMILESCC1CCN(C(=O)c2ccc(N3CCN(c4ccccn4)CC3)nn2)CC1
InChIInChI=1S/C20H26N6O/c1-16-7-10-26(11-8-16)20(27)17-5-6-19(23-22-17)25-14-12-24(13-15-25)18-4-2-3-9-21-18/h2-6,9,16H,7-8,10-15H2,1H3
InChIKeyIGGHFFOKLWMTQN-UHFFFAOYSA-N
XLogP2.07
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-[5-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109275060
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116967
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113322
[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124153
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113344
[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109364142
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109014349
(6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124157
N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109109270
[4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109216212
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone (CID 109113370) is (4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone is CC1CCN(C(=O)c2ccc(N3CCN(c4ccccn4)CC3)nn2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone?
The InChIKey is IGGHFFOKLWMTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-16-7-10-26(11-8-16)20(27)17-5-6-19(23-22-17)25-14-12-24(13-15-25)18-4-2-3-9-21-18/h2-6,9,16H,7-8,10-15H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone?
(4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone has a molecular weight of 366.47 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone is sourced from PubChem (CID 109113370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).