N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

C23H20FN5O3S — CID 90516278

About N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (PubChem CID 90516278) has the molecular formula C23H20FN5O3S and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
• PubChem CID: 90516278
• Molecular Formula: C23H20FN5O3S
• Molecular Weight: 465.51 g/mol
• Exact Mass: 465.13
• IUPAC Name: N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
• SMILES: CC(C(=O)NCCn1cnc(-c2ccc(F)cc2)cc1=O)n1nc(-c2cccs2)ccc1=O
• InChI: InChI=1S/C23H20FN5O3S/c1-15(29-21(30)9-8-18(27-29)20-3-2-12-33-20)23(32)25-10-11-28-14-26-19(13-22(28)31)16-4-6-17(24)7-5-16/h2-9,12-15H,10-11H2,1H3,(H,25,32)
• InChIKey: BOQLTQVKRLODEQ-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 98.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?

The IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (CID 90516278) is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.

What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?

The canonical SMILES for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is CC(C(=O)NCCn1cnc(-c2ccc(F)cc2)cc1=O)n1nc(-c2cccs2)ccc1=O.

What is the InChIKey of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?

The InChIKey is BOQLTQVKRLODEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3S/c1-15(29-21(30)9-8-18(27-29)20-3-2-12-33-20)23(32)25-10-11-28-14-26-19(13-22(28)31)16-4-6-17(24)7-5-16/h2-9,12-15H,10-11H2,1H3,(H,25,32).

What are the key properties of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide has a molecular weight of 465.51 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 90516278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).