N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

C27H24FN3O3 — CID 71698795

IUPACN-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1cccc(Cc2cc(-c3ccc(C)cc3)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C27H24FN3O3/c1-18-6-8-20(9-7-18)25-16-21(14-19-4-3-5-24(15-19)34-2)27(33)31(30-25)17-26(32)29-23-12-10-22(28)11-13-23/h3-13,15-16H,14,17H2,1-2H3,(H,29,32)
InChIKeyPIGFTYCSVKYXPU-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.60
Rot. Bonds7

About N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 71698795) has the molecular formula C27H24FN3O3 and a molecular weight of 457.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID71698795
Molecular FormulaC27H24FN3O3
Molecular Weight457.51 g/mol
Exact Mass457.18
IUPAC NameN-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1cccc(Cc2cc(-c3ccc(C)cc3)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C27H24FN3O3/c1-18-6-8-20(9-7-18)25-16-21(14-19-4-3-5-24(15-19)34-2)27(33)31(30-25)17-26(32)29-23-12-10-22(28)11-13-23/h3-13,15-16H,14,17H2,1-2H3,(H,29,32)
InChIKeyPIGFTYCSVKYXPU-UHFFFAOYSA-N
XLogP4.60
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 71698795) is N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is COc1cccc(Cc2cc(-c3ccc(C)cc3)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is PIGFTYCSVKYXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O3/c1-18-6-8-20(9-7-18)25-16-21(14-19-4-3-5-24(15-19)34-2)27(33)31(30-25)17-26(32)29-23-12-10-22(28)11-13-23/h3-13,15-16H,14,17H2,1-2H3,(H,29,32).
What are the key properties of N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 457.51 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 71698795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).