6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide

C26H25ClFN5O4 — CID 54029345

About 6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide

6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide (PubChem CID 54029345) has the molecular formula C26H25ClFN5O4 and a molecular weight of 525.97 g/mol. Its IUPAC name is 6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide
• PubChem CID: 54029345
• Molecular Formula: C26H25ClFN5O4
• Molecular Weight: 525.97 g/mol
• Exact Mass: 525.16
• IUPAC Name: 6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide
• SMILES: CCC1CC(=O)N(Cc2ccc(NC(=O)c3ccc(Cl)nn3)cc2)N=C1c1ccc(OC)c(OCF)c1
• InChI: InChI=1S/C26H25ClFN5O4/c1-3-17-13-24(34)33(32-25(17)18-6-10-21(36-2)22(12-18)37-15-28)14-16-4-7-19(8-5-16)29-26(35)20-9-11-23(27)31-30-20/h4-12,17H,3,13-15H2,1-2H3,(H,29,35)
• InChIKey: LELSOVSERFWDCE-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 106.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.97
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide?

The IUPAC name of 6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide (CID 54029345) is 6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide.

What is the SMILES notation for 6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide?

The canonical SMILES for 6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide is CCC1CC(=O)N(Cc2ccc(NC(=O)c3ccc(Cl)nn3)cc2)N=C1c1ccc(OC)c(OCF)c1.

What is the InChIKey of 6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide?

The InChIKey is LELSOVSERFWDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O4/c1-3-17-13-24(34)33(32-25(17)18-6-10-21(36-2)22(12-18)37-15-28)14-16-4-7-19(8-5-16)29-26(35)20-9-11-23(27)31-30-20/h4-12,17H,3,13-15H2,1-2H3,(H,29,35).

What are the key properties of 6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide?

6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide has a molecular weight of 525.97 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[4-[[4-ethyl-3-[3-(fluoromethoxy)-4-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 54029345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).