(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide

C20H23N7O3S — CID 52907741

IUPAC(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)[C@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)c1
InChIInChI=1S/C20H23N7O3S/c1-31(29,30)25-17-6-2-5-16(12-17)22-20(28)15-4-3-10-26(13-15)18-7-8-19(24-23-18)27-11-9-21-14-27/h2,5-9,11-12,14-15,25H,3-4,10,13H2,1H3,(H,22,28)/t15-/m0/s1
InChIKeyAMBFVOCZNBQCQJ-HNNXBMFYSA-N
MW441.52 g/mol
LogP1.89
Rot. Bonds6

About (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide

(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide (PubChem CID 52907741) has the molecular formula C20H23N7O3S and a molecular weight of 441.52 g/mol. Its IUPAC name is (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide
PubChem CID52907741
Molecular FormulaC20H23N7O3S
Molecular Weight441.52 g/mol
Exact Mass441.16
IUPAC Name(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)[C@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)c1
InChIInChI=1S/C20H23N7O3S/c1-31(29,30)25-17-6-2-5-16(12-17)22-20(28)15-4-3-10-26(13-15)18-7-8-19(24-23-18)27-11-9-21-14-27/h2,5-9,11-12,14-15,25H,3-4,10,13H2,1H3,(H,22,28)/t15-/m0/s1
InChIKeyAMBFVOCZNBQCQJ-HNNXBMFYSA-N
XLogP1.89
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-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-(3-bromophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514823
(3S)-N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907697
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide
CID 90514705
N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514742
(3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907702
N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514780
N-(4-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514741
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[3-(methanesulfonamido)phenyl]azetidine-3-carboxamide
CID 122161183
N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514811
N-(3-chloro-2-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514810
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide
CID 52993035
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 52993023

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide (CID 52907741) is (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide is CS(=O)(=O)Nc1cccc(NC(=O)[C@H]2CCCN(c3ccc(-n4ccnc4)nn3)C2)c1.
What is the InChIKey of (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide?
The InChIKey is AMBFVOCZNBQCQJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N7O3S/c1-31(29,30)25-17-6-2-5-16(12-17)22-20(28)15-4-3-10-26(13-15)18-7-8-19(24-23-18)27-11-9-21-14-27/h2,5-9,11-12,14-15,25H,3-4,10,13H2,1H3,(H,22,28)/t15-/m0/s1.
What are the key properties of (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide?
(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide has a molecular weight of 441.52 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 52907741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).