1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea

C25H20FN7O2 — CID 66729335

About 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea

1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea (PubChem CID 66729335) has the molecular formula C25H20FN7O2 and a molecular weight of 469.48 g/mol. Its IUPAC name is 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea
• PubChem CID: 66729335
• Molecular Formula: C25H20FN7O2
• Molecular Weight: 469.48 g/mol
• Exact Mass: 469.17
• IUPAC Name: 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea
• SMILES: Cc1cn(-c2cccc(NC(=O)Nc3ccc(Oc4ccnc(-c5cn[nH]c5)c4)cc3F)c2)cn1
• InChI: InChI=1S/C25H20FN7O2/c1-16-14-33(15-28-16)19-4-2-3-18(9-19)31-25(34)32-23-6-5-20(10-22(23)26)35-21-7-8-27-24(11-21)17-12-29-30-13-17/h2-15H,1H3,(H,29,30)(H2,31,32,34)
• InChIKey: NXSUVKZLPIYFTR-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 109.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.48
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea?

The IUPAC name of 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea (CID 66729335) is 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea.

What is the SMILES notation for 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea?

The canonical SMILES for 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea is Cc1cn(-c2cccc(NC(=O)Nc3ccc(Oc4ccnc(-c5cn[nH]c5)c4)cc3F)c2)cn1.

What is the InChIKey of 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea?

The InChIKey is NXSUVKZLPIYFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O2/c1-16-14-33(15-28-16)19-4-2-3-18(9-19)31-25(34)32-23-6-5-20(10-22(23)26)35-21-7-8-27-24(11-21)17-12-29-30-13-17/h2-15H,1H3,(H,29,30)(H2,31,32,34).

What are the key properties of 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea?

1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea has a molecular weight of 469.48 g/mol, XLogP of 5.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea is sourced from PubChem (CID 66729335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).