1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide

C23H28N6O — CID 90514623

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(N3CCCC(C(=O)NCCc4ccccc4)C3)nn2)n1
InChIInChI=1S/C23H28N6O/c1-17-15-18(2)29(27-17)22-11-10-21(25-26-22)28-14-6-9-20(16-28)23(30)24-13-12-19-7-4-3-5-8-19/h3-5,7-8,10-11,15,20H,6,9,12-14,16H2,1-2H3,(H,24,30)
InChIKeyFYKBRANCISUPEA-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.85
Rot. Bonds6

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 90514623) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID90514623
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(N3CCCC(C(=O)NCCc4ccccc4)C3)nn2)n1
InChIInChI=1S/C23H28N6O/c1-17-15-18(2)29(27-17)22-11-10-21(25-26-22)28-14-6-9-20(16-28)23(30)24-13-12-19-7-4-3-5-8-19/h3-5,7-8,10-11,15,20H,6,9,12-14,16H2,1-2H3,(H,24,30)
InChIKeyFYKBRANCISUPEA-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 90514592
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 90514654
(4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90514534
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(4-iodophenyl)methyl]piperidine-3-carboxamide
CID 90514647
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 90514645
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyrimidin-2-ylpiperidine-3-carboxamide
CID 90514681
1-(1-methyl-6-oxopyridazin-3-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 71795251
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 90514702
N-(2-phenylethyl)-1-[6-(2-phenylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121104048
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 90514602
methyl 2-[[(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carbonyl]amino]benzoate
CID 94920585
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-nitrophenyl)piperidine-3-carboxamide
CID 90514568

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide (CID 90514623) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide is Cc1cc(C)n(-c2ccc(N3CCCC(C(=O)NCCc4ccccc4)C3)nn2)n1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is FYKBRANCISUPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-17-15-18(2)29(27-17)22-11-10-21(25-26-22)28-14-6-9-20(16-28)23(30)24-13-12-19-7-4-3-5-8-19/h3-5,7-8,10-11,15,20H,6,9,12-14,16H2,1-2H3,(H,24,30).
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 90514623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).