1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide

C16H23N7O3S — CID 122292675

IUPAC1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCNc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C16H23N7O3S/c1-27(25,26)22-11-5-13(6-12-22)16(24)18-9-8-17-14-3-4-15(21-20-14)23-10-2-7-19-23/h2-4,7,10,13H,5-6,8-9,11-12H2,1H3,(H,17,20)(H,18,24)
InChIKeyYYVGGHJHFCHKCW-UHFFFAOYSA-N
MW393.47 g/mol
LogP-0.14
Rot. Bonds7

About 1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide (PubChem CID 122292675) has the molecular formula C16H23N7O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide
PubChem CID122292675
Molecular FormulaC16H23N7O3S
Molecular Weight393.47 g/mol
Exact Mass393.16
IUPAC Name1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCNc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C16H23N7O3S/c1-27(25,26)22-11-5-13(6-12-22)16(24)18-9-8-17-14-3-4-15(21-20-14)23-10-2-7-19-23/h2-4,7,10,13H,5-6,8-9,11-12H2,1H3,(H,17,20)(H,18,24)
InChIKeyYYVGGHJHFCHKCW-UHFFFAOYSA-N
XLogP-0.14
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]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

2-[methyl(methylsulfonyl)amino]-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292782
1-methylsulfonyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]piperidine-4-carboxamide
CID 71799996
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
CID 16654552
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-6-oxopiperidine-3-carboxamide
CID 122327269
1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122292682
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292864
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292745
1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 47000825
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292825
(3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide
CID 51943461

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide (CID 122292675) is 1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCCNc2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide?
The InChIKey is YYVGGHJHFCHKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O3S/c1-27(25,26)22-11-5-13(6-12-22)16(24)18-9-8-17-14-3-4-15(21-20-14)23-10-2-7-19-23/h2-4,7,10,13H,5-6,8-9,11-12H2,1H3,(H,17,20)(H,18,24).
What are the key properties of 1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide has a molecular weight of 393.47 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 122292675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).