1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea;1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea

C52H44F5N13O4 — CID 87164377

About 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea;1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea

1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea;1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea (PubChem CID 87164377) has the molecular formula C52H44F5N13O4 and a molecular weight of 1010.00 g/mol. Its IUPAC name is 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea;1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea;1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea
• PubChem CID: 87164377
• Molecular Formula: C52H44F5N13O4
• Molecular Weight: 1010.00 g/mol
• Exact Mass: 1009.36
• IUPAC Name: 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea;1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea
• SMILES: Cc1cn(-c2cc(NC(=O)Nc3ccc(Oc4ccnc(-c5cn[nH]c5)c4)cc3F)cc(C(F)(F)F)c2)cn1.Cn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cccc(N5CCCC5)c4)c(F)c3)ccn2)cn1
• InChI: InChI=1S/C26H19F4N7O2.C26H25FN6O2/c1-15-13-37(14-32-15)19-7-17(26(28,29)30)6-18(8-19)35-25(38)36-23-3-2-20(9-22(23)27)39-21-4-5-31-24(10-21)16-11-33-34-12-16;1-32-17-18(16-29-32)25-15-22(9-10-28-25)35-21-7-8-24(23(27)14-21)31-26(34)30-19-5-4-6-20(13-19)33-11-2-3-12-33/h2-14H,1H3,(H,33,34)(H2,35,36,38);4-10,13-17H,2-3,11-12H2,1H3,(H2,30,31,34)
• InChIKey: YHKBYTORXLKJLQ-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 194.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1010.00
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea;1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea?

The IUPAC name of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea;1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea (CID 87164377) is 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea;1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea.

What is the SMILES notation for 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea;1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea?

The canonical SMILES for 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea;1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea is Cc1cn(-c2cc(NC(=O)Nc3ccc(Oc4ccnc(-c5cn[nH]c5)c4)cc3F)cc(C(F)(F)F)c2)cn1.Cn1cc(-c2cc(Oc3ccc(NC(=O)Nc4cccc(N5CCCC5)c4)c(F)c3)ccn2)cn1.

What is the InChIKey of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea;1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea?

The InChIKey is YHKBYTORXLKJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N7O2.C26H25FN6O2/c1-15-13-37(14-32-15)19-7-17(26(28,29)30)6-18(8-19)35-25(38)36-23-3-2-20(9-22(23)27)39-21-4-5-31-24(10-21)16-11-33-34-12-16;1-32-17-18(16-29-32)25-15-22(9-10-28-25)35-21-7-8-24(23(27)14-21)31-26(34)30-19-5-4-6-20(13-19)33-11-2-3-12-33/h2-14H,1H3,(H,33,34)(H2,35,36,38);4-10,13-17H,2-3,11-12H2,1H3,(H2,30,31,34).

What are the key properties of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea;1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea?

1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea;1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea has a molecular weight of 1010.00 g/mol, XLogP of 12.22, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea;1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 87164377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).