1-(5-ethoxy-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-fluoro-5-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea

C85H73F5N20O8 — CID 161108842

About 1-(5-ethoxy-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-fluoro-5-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea

1-(5-ethoxy-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-fluoro-5-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea (PubChem CID 161108842) has the molecular formula C85H73F5N20O8 and a molecular weight of 1597.64 g/mol. Its IUPAC name is 1-(5-ethoxy-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-fluoro-5-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(5-ethoxy-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-fluoro-5-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
• PubChem CID: 161108842
• Molecular Formula: C85H73F5N20O8
• Molecular Weight: 1597.64 g/mol
• Exact Mass: 1596.58
• IUPAC Name: 1-(5-ethoxy-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-fluoro-5-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea
• SMILES: CCOc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3cnn4C)cc2)c1.COc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3cnn4C)cc2)c1.COc1ccccc1NC(=O)Nc1ccc(-c2cncc3c2cnn3C)cc1.Cn1ncc2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4O)cc3)cncc21
• InChI: InChI=1S/C22H20FN5O2.C21H16F3N5O2.C21H18FN5O2.C21H19N5O2/c1-3-30-16-8-9-19(23)20(10-16)27-22(29)26-15-6-4-14(5-7-15)17-11-24-13-21-18(17)12-25-28(21)2;1-29-18-11-25-9-15(16(18)10-26-29)12-2-5-14(6-3-12)27-20(31)28-17-8-13(21(22,23)24)4-7-19(17)30;1-27-20-12-23-10-16(17(20)11-24-27)13-3-5-14(6-4-13)25-21(28)26-19-9-15(29-2)7-8-18(19)22;1-26-19-13-22-11-16(17(19)12-23-26)14-7-9-15(10-8-14)24-21(27)25-18-5-3-4-6-20(18)28-2/h4-13H,3H2,1-2H3,(H2,26,27,29);2-11,30H,1H3,(H2,27,28,31);3-12H,1-2H3,(H2,25,26,28);3-13H,1-2H3,(H2,24,25,27)
• InChIKey: UJKSVXOEBSDUEG-UHFFFAOYSA-N
• XLogP: 18.54
• TPSA: 335.28 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1597.64
LogP ≤ 5	18.54
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-fluoro-5-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea?

The IUPAC name of 1-(5-ethoxy-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-fluoro-5-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea (CID 161108842) is 1-(5-ethoxy-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-fluoro-5-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea.

What is the SMILES notation for 1-(5-ethoxy-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-fluoro-5-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea?

The canonical SMILES for 1-(5-ethoxy-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-fluoro-5-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea is CCOc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3cnn4C)cc2)c1.COc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3cnn4C)cc2)c1.COc1ccccc1NC(=O)Nc1ccc(-c2cncc3c2cnn3C)cc1.Cn1ncc2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4O)cc3)cncc21.

What is the InChIKey of 1-(5-ethoxy-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-fluoro-5-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea?

The InChIKey is UJKSVXOEBSDUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2.C21H16F3N5O2.C21H18FN5O2.C21H19N5O2/c1-3-30-16-8-9-19(23)20(10-16)27-22(29)26-15-6-4-14(5-7-15)17-11-24-13-21-18(17)12-25-28(21)2;1-29-18-11-25-9-15(16(18)10-26-29)12-2-5-14(6-3-12)27-20(31)28-17-8-13(21(22,23)24)4-7-19(17)30;1-27-20-12-23-10-16(17(20)11-24-27)13-3-5-14(6-4-13)25-21(28)26-19-9-15(29-2)7-8-18(19)22;1-26-19-13-22-11-16(17(19)12-23-26)14-7-9-15(10-8-14)24-21(27)25-18-5-3-4-6-20(18)28-2/h4-13H,3H2,1-2H3,(H2,26,27,29);2-11,30H,1H3,(H2,27,28,31);3-12H,1-2H3,(H2,25,26,28);3-13H,1-2H3,(H2,24,25,27).

What are the key properties of 1-(5-ethoxy-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-fluoro-5-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea?

1-(5-ethoxy-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-fluoro-5-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea has a molecular weight of 1597.64 g/mol, XLogP of 18.54, 16 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-ethoxy-2-fluorophenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-fluoro-5-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[2-hydroxy-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-(2-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea is sourced from PubChem (CID 161108842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).