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

C21H16FN5OS — CID 7519614

IUPACN-(4-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)Nc1ccc(F)cc1
InChIInChI=1S/C21H16FN5OS/c22-16-4-6-17(7-5-16)24-20(28)14-29-21-11-10-19(25-26-21)15-2-8-18(9-3-15)27-13-1-12-23-27/h1-13H,14H2,(H,24,28)
InChIKeyIHUIVHGPNHSYMP-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.20
Rot. Bonds6

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

N-(4-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7519614) has the molecular formula C21H16FN5OS and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7519614
Molecular FormulaC21H16FN5OS
Molecular Weight405.46 g/mol
Exact Mass405.11
IUPAC NameN-(4-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)Nc1ccc(F)cc1
InChIInChI=1S/C21H16FN5OS/c22-16-4-6-17(7-5-16)24-20(28)14-29-21-11-10-19(25-26-21)15-2-8-18(9-3-15)27-13-1-12-23-27/h1-13H,14H2,(H,24,28)
InChIKeyIHUIVHGPNHSYMP-UHFFFAOYSA-N
XLogP4.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7519614) is N-(4-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is IHUIVHGPNHSYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5OS/c22-16-4-6-17(7-5-16)24-20(28)14-29-21-11-10-19(25-26-21)15-2-8-18(9-3-15)27-13-1-12-23-27/h1-13H,14H2,(H,24,28).
What are the key properties of N-(4-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 405.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7519614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).