1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone

C23H28N6O — CID 133342576

IUPAC1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone
SMILESCc1cc(C)n(-c2ccc(NCC(=O)N3CCC(Cc4ccccc4)CC3)nn2)n1
InChIInChI=1S/C23H28N6O/c1-17-14-18(2)29(27-17)22-9-8-21(25-26-22)24-16-23(30)28-12-10-20(11-13-28)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,25)
InChIKeyVIXWFGGRKFNZQS-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.17
Rot. Bonds6

About 1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone

1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone (PubChem CID 133342576) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone
PubChem CID133342576
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone
SMILESCc1cc(C)n(-c2ccc(NCC(=O)N3CCC(Cc4ccccc4)CC3)nn2)n1
InChIInChI=1S/C23H28N6O/c1-17-14-18(2)29(27-17)22-9-8-21(25-26-22)24-16-23(30)28-12-10-20(11-13-28)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,25)
InChIKeyVIXWFGGRKFNZQS-UHFFFAOYSA-N
XLogP3.17
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone with MolForge

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]ethanone
CID 133342486
(4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90514534
1-(4-benzylpiperidin-1-yl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethanone
CID 133342559
5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
CID 122048849
methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044887
N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
CID 113044874
1-(4-benzylpiperidin-1-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethanone
CID 133342535
6-(3,5-dimethylpyrazol-1-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridazin-3-amine
CID 112818323
tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044889
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 90514623
1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone
CID 108996770
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-fluorobenzamide
CID 16654494

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone (CID 133342576) is 1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone is Cc1cc(C)n(-c2ccc(NCC(=O)N3CCC(Cc4ccccc4)CC3)nn2)n1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone?
The InChIKey is VIXWFGGRKFNZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-17-14-18(2)29(27-17)22-9-8-21(25-26-22)24-16-23(30)28-12-10-20(11-13-28)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,25).
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone has a molecular weight of 404.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethanone is sourced from PubChem (CID 133342576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).