2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide

C23H21N5O2S — CID 18573971

IUPAC2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1
InChIInChI=1S/C23H21N5O2S/c1-30-21-5-3-2-4-18(21)14-25-22(29)15-31-23-11-10-20(26-27-23)17-6-8-19(9-7-17)28-13-12-24-16-28/h2-13,16H,14-15H2,1H3,(H,25,29)
InChIKeyREOIWCMOZSVYHZ-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.75
Rot. Bonds8

About 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide

2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 18573971) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID18573971
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1
InChIInChI=1S/C23H21N5O2S/c1-30-21-5-3-2-4-18(21)14-25-22(29)15-31-23-11-10-20(26-27-23)17-6-8-19(9-7-17)28-13-12-24-16-28/h2-13,16H,14-15H2,1H3,(H,25,29)
InChIKeyREOIWCMOZSVYHZ-UHFFFAOYSA-N
XLogP3.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide (CID 18573971) is 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CSc1ccc(-c2ccc(-n3ccnc3)cc2)nn1.
What is the InChIKey of 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is REOIWCMOZSVYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-30-21-5-3-2-4-18(21)14-25-22(29)15-31-23-11-10-20(26-27-23)17-6-8-19(9-7-17)28-13-12-24-16-28/h2-13,16H,14-15H2,1H3,(H,25,29).
What are the key properties of 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 431.52 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 18573971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).