[(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] 2,2-dimethyl-4-oxobutanoate;nickel

C25H26FN4NiO5- — CID 156809778

About [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] 2,2-dimethyl-4-oxobutanoate;nickel

[(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] 2,2-dimethyl-4-oxobutanoate;nickel (PubChem CID 156809778) has the molecular formula C25H26FN4NiO5- and a molecular weight of 540.20 g/mol. Its IUPAC name is [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] 2,2-dimethyl-4-oxobutanoate;nickel.

Molecular Properties

• Compound Name: [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] 2,2-dimethyl-4-oxobutanoate;nickel
• PubChem CID: 156809778
• Molecular Formula: C25H26FN4NiO5-
• Molecular Weight: 540.20 g/mol
• Exact Mass: 539.12
• IUPAC Name: [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] 2,2-dimethyl-4-oxobutanoate;nickel
• SMILES: Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)C(C)(C)C[C-]=O)c(C)c34)ccc2[nH]1.[Ni]
• InChI: InChI=1S/C25H26FN4O5.Ni/c1-14-10-17-18(29-14)6-7-19(21(17)26)35-23-22-16(3)20(11-30(22)28-13-27-23)33-12-15(2)34-24(32)25(4,5)8-9-31;/h6-7,10-11,13,15,29H,8,12H2,1-5H3;/q-1;/t15-;/m1./s1
• InChIKey: LEXGUROZWNWTQQ-XFULWGLBSA-N
• XLogP: 4.59
• TPSA: 107.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.20
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] 2,2-dimethyl-4-oxobutanoate;nickel?

The IUPAC name of [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] 2,2-dimethyl-4-oxobutanoate;nickel (CID 156809778) is [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] 2,2-dimethyl-4-oxobutanoate;nickel.

What is the SMILES notation for [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] 2,2-dimethyl-4-oxobutanoate;nickel?

The canonical SMILES for [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] 2,2-dimethyl-4-oxobutanoate;nickel is Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)C(C)(C)C[C-]=O)c(C)c34)ccc2[nH]1.[Ni].

What is the InChIKey of [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] 2,2-dimethyl-4-oxobutanoate;nickel?

The InChIKey is LEXGUROZWNWTQQ-XFULWGLBSA-N. The full InChI is InChI=1S/C25H26FN4O5.Ni/c1-14-10-17-18(29-14)6-7-19(21(17)26)35-23-22-16(3)20(11-30(22)28-13-27-23)33-12-15(2)34-24(32)25(4,5)8-9-31;/h6-7,10-11,13,15,29H,8,12H2,1-5H3;/q-1;/t15-;/m1./s1.

What are the key properties of [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] 2,2-dimethyl-4-oxobutanoate;nickel?

[(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] 2,2-dimethyl-4-oxobutanoate;nickel has a molecular weight of 540.20 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl] 2,2-dimethyl-4-oxobutanoate;nickel is sourced from PubChem (CID 156809778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).