1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-methyl-5-morpholin-4-ylphenyl)urea

C26H25FN6O3 — CID 66729397

About 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-methyl-5-morpholin-4-ylphenyl)urea

1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-methyl-5-morpholin-4-ylphenyl)urea (PubChem CID 66729397) has the molecular formula C26H25FN6O3 and a molecular weight of 488.52 g/mol. Its IUPAC name is 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-methyl-5-morpholin-4-ylphenyl)urea.

Molecular Properties

• Compound Name: 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-methyl-5-morpholin-4-ylphenyl)urea
• PubChem CID: 66729397
• Molecular Formula: C26H25FN6O3
• Molecular Weight: 488.52 g/mol
• Exact Mass: 488.20
• IUPAC Name: 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-methyl-5-morpholin-4-ylphenyl)urea
• SMILES: Cc1cc(NC(=O)Nc2ccc(Oc3ccnc(-c4cn[nH]c4)c3)cc2F)cc(N2CCOCC2)c1
• InChI: InChI=1S/C26H25FN6O3/c1-17-10-19(12-20(11-17)33-6-8-35-9-7-33)31-26(34)32-24-3-2-21(13-23(24)27)36-22-4-5-28-25(14-22)18-15-29-30-16-18/h2-5,10-16H,6-9H2,1H3,(H,29,30)(H2,31,32,34)
• InChIKey: HRVNZNIUJHJGEW-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 104.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.52
LogP ≤ 5	5.19
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-methyl-5-morpholin-4-ylphenyl)urea?

The IUPAC name of 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-methyl-5-morpholin-4-ylphenyl)urea (CID 66729397) is 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-methyl-5-morpholin-4-ylphenyl)urea.

What is the SMILES notation for 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-methyl-5-morpholin-4-ylphenyl)urea?

The canonical SMILES for 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-methyl-5-morpholin-4-ylphenyl)urea is Cc1cc(NC(=O)Nc2ccc(Oc3ccnc(-c4cn[nH]c4)c3)cc2F)cc(N2CCOCC2)c1.

What is the InChIKey of 1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-methyl-5-morpholin-4-ylphenyl)urea?

The InChIKey is HRVNZNIUJHJGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O3/c1-17-10-19(12-20(11-17)33-6-8-35-9-7-33)31-26(34)32-24-3-2-21(13-23(24)27)36-22-4-5-28-25(14-22)18-15-29-30-16-18/h2-5,10-16H,6-9H2,1H3,(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-methyl-5-morpholin-4-ylphenyl)urea?

1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-methyl-5-morpholin-4-ylphenyl)urea has a molecular weight of 488.52 g/mol, XLogP of 5.19, 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-methyl-5-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 66729397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).