2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide

C20H16FN7O3 — CID 3224529

IUPAC2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)ccc1-n1cnnn1
InChIInChI=1S/C20H16FN7O3/c1-31-18-10-13(6-8-17(18)28-12-22-25-26-28)23-19(29)11-27-20(30)9-7-16(24-27)14-4-2-3-5-15(14)21/h2-10,12H,11H2,1H3,(H,23,29)
InChIKeyOQCWNYFXKJGLDY-UHFFFAOYSA-N
MW421.39 g/mol
LogP1.67
Rot. Bonds6

About 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide

2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 3224529) has the molecular formula C20H16FN7O3 and a molecular weight of 421.39 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID3224529
Molecular FormulaC20H16FN7O3
Molecular Weight421.39 g/mol
Exact Mass421.13
IUPAC Name2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)ccc1-n1cnnn1
InChIInChI=1S/C20H16FN7O3/c1-31-18-10-13(6-8-17(18)28-12-22-25-26-28)23-19(29)11-27-20(30)9-7-16(24-27)14-4-2-3-5-15(14)21/h2-10,12H,11H2,1H3,(H,23,29)
InChIKeyOQCWNYFXKJGLDY-UHFFFAOYSA-N
XLogP1.67
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide (CID 3224529) is 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide is COc1cc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)ccc1-n1cnnn1.
What is the InChIKey of 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is OQCWNYFXKJGLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O3/c1-31-18-10-13(6-8-17(18)28-12-22-25-26-28)23-19(29)11-27-20(30)9-7-16(24-27)14-4-2-3-5-15(14)21/h2-10,12H,11H2,1H3,(H,23,29).
What are the key properties of 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide?
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 421.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methoxy-4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 3224529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).