N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide

C22H28N8O2 — CID 121119104

IUPACN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NCCn3nc(-n4nc(C)cc4C)ccc3=O)CC2)nn1
InChIInChI=1S/C22H28N8O2/c1-15-4-5-19(25-24-15)28-11-8-18(9-12-28)22(32)23-10-13-29-21(31)7-6-20(27-29)30-17(3)14-16(2)26-30/h4-7,14,18H,8-13H2,1-3H3,(H,23,32)
InChIKeyJARXIITVXBBZHF-UHFFFAOYSA-N
MW436.52 g/mol
LogP1.18
Rot. Bonds6

About N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 121119104) has the molecular formula C22H28N8O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID121119104
Molecular FormulaC22H28N8O2
Molecular Weight436.52 g/mol
Exact Mass436.23
IUPAC NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)NCCn3nc(-n4nc(C)cc4C)ccc3=O)CC2)nn1
InChIInChI=1S/C22H28N8O2/c1-15-4-5-19(25-24-15)28-11-8-18(9-12-28)22(32)23-10-13-29-21(31)7-6-20(27-29)30-17(3)14-16(2)26-30/h4-7,14,18H,8-13H2,1-3H3,(H,23,32)
InChIKeyJARXIITVXBBZHF-UHFFFAOYSA-N
XLogP1.18
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]cyclopropanecarboxamide
CID 90538881
1-(6-methylpyridazin-3-yl)-N-propylpiperidine-4-carboxamide
CID 121118861
N-cyclopropyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 56764773
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121120955
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-phenylacetamide
CID 90538883
N-(3-chloro-4-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514281
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 90514623
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071767
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 90539030
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide
CID 100906109
N-(3,5-dimethoxyphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514293
1-[6-(2-methoxyphenyl)pyridazin-3-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]piperidine-4-carboxamide
CID 121072014

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide (CID 121119104) is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide is Cc1ccc(N2CCC(C(=O)NCCn3nc(-n4nc(C)cc4C)ccc3=O)CC2)nn1.
What is the InChIKey of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is JARXIITVXBBZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O2/c1-15-4-5-19(25-24-15)28-11-8-18(9-12-28)22(32)23-10-13-29-21(31)7-6-20(27-29)30-17(3)14-16(2)26-30/h4-7,14,18H,8-13H2,1-3H3,(H,23,32).
What are the key properties of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121119104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).