6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one

C22H20Cl2N4OS — CID 58217935

IUPAC6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one
SMILESCc1cn(-c2ccc(Cc3cc(Cl)nn([C@@H](C)c4ccc(Cl)s4)c3=O)cc2C)cn1
InChIInChI=1S/C22H20Cl2N4OS/c1-13-8-16(4-5-18(13)27-11-14(2)25-12-27)9-17-10-20(23)26-28(22(17)29)15(3)19-6-7-21(24)30-19/h4-8,10-12,15H,9H2,1-3H3/t15-/m0/s1
InChIKeyFJIFKOYFKRGPJQ-HNNXBMFYSA-N
MW459.40 g/mol
LogP5.61
Rot. Bonds5

About 6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one

6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one (PubChem CID 58217935) has the molecular formula C22H20Cl2N4OS and a molecular weight of 459.40 g/mol. Its IUPAC name is 6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one
PubChem CID58217935
Molecular FormulaC22H20Cl2N4OS
Molecular Weight459.40 g/mol
Exact Mass458.07
IUPAC Name6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one
SMILESCc1cn(-c2ccc(Cc3cc(Cl)nn([C@@H](C)c4ccc(Cl)s4)c3=O)cc2C)cn1
InChIInChI=1S/C22H20Cl2N4OS/c1-13-8-16(4-5-18(13)27-11-14(2)25-12-27)9-17-10-20(23)26-28(22(17)29)15(3)19-6-7-21(24)30-19/h4-8,10-12,15H,9H2,1-3H3/t15-/m0/s1
InChIKeyFJIFKOYFKRGPJQ-HNNXBMFYSA-N
XLogP5.61
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.40
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one 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

6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one
CID 58217721
2-[1-(4-fluorophenyl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one
CID 58218038
5-cyclopropyl-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(1S)-1-(4-methylphenyl)ethyl]pyridin-2-one
CID 159585879
methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate
CID 159516626
5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one
CID 160678101
methyl 1-[1-(4-fluorophenyl)ethyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-oxopyridine-3-carboxylate
CID 58217862
5-cyclopropyl-1-[(1R)-2-hydroxy-1-(4-methylphenyl)ethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one
CID 160674655
N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 159516627
1-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
CID 90776615
6-chloro-2-[(1S)-1-(3,5-difluorophenyl)ethyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one
CID 70271213
1-[(1S)-1-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one
CID 70270424
1-(5-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62537661

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one?
The IUPAC name of 6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one (CID 58217935) is 6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one is Cc1cn(-c2ccc(Cc3cc(Cl)nn([C@@H](C)c4ccc(Cl)s4)c3=O)cc2C)cn1.
What is the InChIKey of 6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one?
The InChIKey is FJIFKOYFKRGPJQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H20Cl2N4OS/c1-13-8-16(4-5-18(13)27-11-14(2)25-12-27)9-17-10-20(23)26-28(22(17)29)15(3)19-6-7-21(24)30-19/h4-8,10-12,15H,9H2,1-3H3/t15-/m0/s1.
What are the key properties of 6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one?
6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one has a molecular weight of 459.40 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 58217935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).