1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[5-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea

C61H51F7N18O4 — CID 160592398

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[5-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[5-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 160592398) has the molecular formula C61H51F7N18O4 and a molecular weight of 1233.19 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[5-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[5-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
• PubChem CID: 160592398
• Molecular Formula: C61H51F7N18O4
• Molecular Weight: 1233.19 g/mol
• Exact Mass: 1232.42
• IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[5-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
• SMILES: Cn1ncc2c(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)c(F)c3)cncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cn3)cncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)nc3)cncc21
• InChI: InChI=1S/C21H21FN6O2.2C20H15F3N6O/c1-21(2,3)18-8-19(27-30-18)26-20(29)25-16-6-5-12(7-15(16)22)13-9-23-11-17-14(13)10-24-28(17)4;1-29-17-11-24-9-15(16(17)10-26-29)12-5-6-18(25-8-12)28-19(30)27-14-4-2-3-13(7-14)20(21,22)23;1-29-18-11-24-9-15(16(18)10-26-29)17-6-5-14(8-25-17)28-19(30)27-13-4-2-3-12(7-13)20(21,22)23/h5-11H,1-4H3,(H2,25,26,27,29);2-11H,1H3,(H2,25,27,28,30);2-11H,1H3,(H2,27,28,30)
• InChIKey: RDEWMRDPZQKOFG-UHFFFAOYSA-N
• XLogP: 14.09
• TPSA: 267.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1233.19
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[5-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea?

The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[5-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 160592398) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[5-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea.

What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[5-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea?

The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[5-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea is Cn1ncc2c(-c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)c(F)c3)cncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cn3)cncc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)nc3)cncc21.

What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[5-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea?

The InChIKey is RDEWMRDPZQKOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2.2C20H15F3N6O/c1-21(2,3)18-8-19(27-30-18)26-20(29)25-16-6-5-12(7-15(16)22)13-9-23-11-17-14(13)10-24-28(17)4;1-29-17-11-24-9-15(16(17)10-26-29)12-5-6-18(25-8-12)28-19(30)27-14-4-2-3-13(7-14)20(21,22)23;1-29-18-11-24-9-15(16(18)10-26-29)17-6-5-14(8-25-17)28-19(30)27-13-4-2-3-12(7-13)20(21,22)23/h5-11H,1-4H3,(H2,25,26,27,29);2-11H,1H3,(H2,25,27,28,30);2-11H,1H3,(H2,27,28,30).

What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[5-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea?

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[5-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 1233.19 g/mol, XLogP of 14.09, 9 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-fluoro-4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[5-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[6-(1-methylpyrazolo[5,4-c]pyridin-4-yl)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 160592398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).