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

C20H16FN7O2 — CID 648035

IUPAC2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)ccc1-n1cnnn1
InChIInChI=1S/C20H16FN7O2/c1-13-10-14(6-8-18(13)28-12-22-25-26-28)23-19(29)11-27-20(30)9-7-17(24-27)15-4-2-3-5-16(15)21/h2-10,12H,11H2,1H3,(H,23,29)
InChIKeyBWBBIPXFAGYVIB-UHFFFAOYSA-N
MW405.39 g/mol
LogP1.97
Rot. Bonds5

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

2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 648035) has the molecular formula C20H16FN7O2 and a molecular weight of 405.39 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID648035
Molecular FormulaC20H16FN7O2
Molecular Weight405.39 g/mol
Exact Mass405.13
IUPAC Name2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)ccc1-n1cnnn1
InChIInChI=1S/C20H16FN7O2/c1-13-10-14(6-8-18(13)28-12-22-25-26-28)23-19(29)11-27-20(30)9-7-17(24-27)15-4-2-3-5-16(15)21/h2-10,12H,11H2,1H3,(H,23,29)
InChIKeyBWBBIPXFAGYVIB-UHFFFAOYSA-N
XLogP1.97
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide (CID 648035) is 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide is Cc1cc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)ccc1-n1cnnn1.
What is the InChIKey of 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is BWBBIPXFAGYVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O2/c1-13-10-14(6-8-18(13)28-12-22-25-26-28)23-19(29)11-27-20(30)9-7-17(24-27)15-4-2-3-5-16(15)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-methyl-4-(tetrazol-1-yl)phenyl]acetamide?
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 405.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 648035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).