N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide

C25H22FN5O4 — CID 121063880

About N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide

N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 121063880) has the molecular formula C25H22FN5O4 and a molecular weight of 475.48 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
• PubChem CID: 121063880
• Molecular Formula: C25H22FN5O4
• Molecular Weight: 475.48 g/mol
• Exact Mass: 475.17
• IUPAC Name: N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
• SMILES: COc1ccc(-c2cc(=O)n(CC(=O)NCCn3nc(-c4ccc(F)cc4)ccc3=O)cn2)cc1
• InChI: InChI=1S/C25H22FN5O4/c1-35-20-8-4-18(5-9-20)22-14-25(34)30(16-28-22)15-23(32)27-12-13-31-24(33)11-10-21(29-31)17-2-6-19(26)7-3-17/h2-11,14,16H,12-13,15H2,1H3,(H,27,32)
• InChIKey: IPLLQWBYPAZWPT-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 108.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.48
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?

The IUPAC name of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide (CID 121063880) is N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide.

What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?

The canonical SMILES for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide is COc1ccc(-c2cc(=O)n(CC(=O)NCCn3nc(-c4ccc(F)cc4)ccc3=O)cn2)cc1.

What is the InChIKey of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?

The InChIKey is IPLLQWBYPAZWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O4/c1-35-20-8-4-18(5-9-20)22-14-25(34)30(16-28-22)15-23(32)27-12-13-31-24(33)11-10-21(29-31)17-2-6-19(26)7-3-17/h2-11,14,16H,12-13,15H2,1H3,(H,27,32).

What are the key properties of N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?

N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 475.48 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 121063880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).