1-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one

C19H18N4O3 — CID 143359430

IUPAC1-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one
SMILESCC(=O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3)c2c1C
InChIInChI=1S/C19H18N4O3/c1-11-6-14-7-15(4-5-16(14)22-11)26-19-18-13(3)17(25-9-12(2)24)8-23(18)21-10-20-19/h4-8,10,22H,9H2,1-3H3
InChIKeyKAIZVOZFCCJXMA-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.59
Rot. Bonds5

About 1-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one

1-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one (PubChem CID 143359430) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one.

Molecular Properties

Compound Name1-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one
PubChem CID143359430
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one
SMILESCC(=O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3)c2c1C
InChIInChI=1S/C19H18N4O3/c1-11-6-14-7-15(4-5-16(14)22-11)26-19-18-13(3)17(25-9-12(2)24)8-23(18)21-10-20-19/h4-8,10,22H,9H2,1-3H3
InChIKeyKAIZVOZFCCJXMA-UHFFFAOYSA-N
XLogP3.59
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one?
The IUPAC name of 1-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one (CID 143359430) is 1-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one.
What is the SMILES notation for 1-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one?
The canonical SMILES for 1-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one is CC(=O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3)c2c1C.
What is the InChIKey of 1-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one?
The InChIKey is KAIZVOZFCCJXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11-6-14-7-15(4-5-16(14)22-11)26-19-18-13(3)17(25-9-12(2)24)8-23(18)21-10-20-19/h4-8,10,22H,9H2,1-3H3.
What are the key properties of 1-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one?
1-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one has a molecular weight of 350.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one is sourced from PubChem (CID 143359430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).