4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[2-[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yloxy]propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine

C38H36F2N8O5 — CID 142781625

About 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[2-[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yloxy]propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[2-[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yloxy]propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 142781625) has the molecular formula C38H36F2N8O5 and a molecular weight of 722.75 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[2-[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yloxy]propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

• Compound Name: 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[2-[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yloxy]propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine
• PubChem CID: 142781625
• Molecular Formula: C38H36F2N8O5
• Molecular Weight: 722.75 g/mol
• Exact Mass: 722.28
• IUPAC Name: 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[2-[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yloxy]propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine
• SMILES: Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)OC(C)COc5cn6ncnc(Oc7ccc8[nH]c(C)cc8c7F)c6c5C)c(C)c34)ccc2[nH]1
• InChI: InChI=1S/C38H36F2N8O5/c1-19-11-25-27(45-19)7-9-29(33(25)39)52-37-35-23(5)31(13-47(35)43-17-41-37)49-15-21(3)51-22(4)16-50-32-14-48-36(24(32)6)38(42-18-44-48)53-30-10-8-28-26(34(30)40)12-20(2)46-28/h7-14,17-18,21-22,45-46H,15-16H2,1-6H3
• InChIKey: GABSPVZRQFJJRQ-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 138.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	722.75
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[2-[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yloxy]propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine?

The IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[2-[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yloxy]propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine (CID 142781625) is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[2-[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yloxy]propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine.

What is the SMILES notation for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[2-[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yloxy]propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine?

The canonical SMILES for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[2-[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yloxy]propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine is Cc1cc2c(F)c(Oc3ncnn4cc(OCC(C)OC(C)COc5cn6ncnc(Oc7ccc8[nH]c(C)cc8c7F)c6c5C)c(C)c34)ccc2[nH]1.

What is the InChIKey of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[2-[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yloxy]propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine?

The InChIKey is GABSPVZRQFJJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36F2N8O5/c1-19-11-25-27(45-19)7-9-29(33(25)39)52-37-35-23(5)31(13-47(35)43-17-41-37)49-15-21(3)51-22(4)16-50-32-14-48-36(24(32)6)38(42-18-44-48)53-30-10-8-28-26(34(30)40)12-20(2)46-28/h7-14,17-18,21-22,45-46H,15-16H2,1-6H3.

What are the key properties of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[2-[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yloxy]propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine?

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[2-[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yloxy]propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 722.75 g/mol, XLogP of 8.08, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-[2-[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yloxy]propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 142781625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).