N-(2-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide

C22H19N5O2S — CID 7519608

IUPACN-(2-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1
InChIInChI=1S/C22H19N5O2S/c1-29-20-6-3-2-5-19(20)24-21(28)15-30-22-12-11-18(25-26-22)16-7-9-17(10-8-16)27-14-4-13-23-27/h2-14H,15H2,1H3,(H,24,28)
InChIKeyMADPUBMBWHJZCY-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.07
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide

N-(2-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7519608) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7519608
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC NameN-(2-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccccc1NC(=O)CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1
InChIInChI=1S/C22H19N5O2S/c1-29-20-6-3-2-5-19(20)24-21(28)15-30-22-12-11-18(25-26-22)16-7-9-17(10-8-16)27-14-4-13-23-27/h2-14H,15H2,1H3,(H,24,28)
InChIKeyMADPUBMBWHJZCY-UHFFFAOYSA-N
XLogP4.07
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7519608) is N-(2-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is COc1ccccc1NC(=O)CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is MADPUBMBWHJZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-29-20-6-3-2-5-19(20)24-21(28)15-30-22-12-11-18(25-26-22)16-7-9-17(10-8-16)27-14-4-13-23-27/h2-14H,15H2,1H3,(H,24,28).
What are the key properties of N-(2-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(2-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 417.49 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7519608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).