3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide

C25H20FN7O2 — CID 122306729

About 3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide (PubChem CID 122306729) has the molecular formula C25H20FN7O2 and a molecular weight of 469.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide
• PubChem CID: 122306729
• Molecular Formula: C25H20FN7O2
• Molecular Weight: 469.48 g/mol
• Exact Mass: 469.17
• IUPAC Name: 3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide
• SMILES: Cc1nccn1-c1ccc(Oc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)nn3C)cc2)nn1
• InChI: InChI=1S/C25H20FN7O2/c1-16-27-13-14-33(16)23-11-12-24(30-29-23)35-20-9-7-19(8-10-20)28-25(34)22-15-21(31-32(22)2)17-3-5-18(26)6-4-17/h3-15H,1-2H3,(H,28,34)
• InChIKey: LRFFCKYEKANUDU-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.48
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide?

The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide (CID 122306729) is 3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide.

What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide?

The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide is Cc1nccn1-c1ccc(Oc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)nn3C)cc2)nn1.

What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide?

The InChIKey is LRFFCKYEKANUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O2/c1-16-27-13-14-33(16)23-11-12-24(30-29-23)35-20-9-7-19(8-10-20)28-25(34)22-15-21(31-32(22)2)17-3-5-18(26)6-4-17/h3-15H,1-2H3,(H,28,34).

What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide?

3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide has a molecular weight of 469.48 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-1-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 122306729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).