4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-pyrrolidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine

C23H26FN5O2 — CID 11510084

IUPAC4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-pyrrolidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCC5)c(C)c34)ccc2[nH]1
InChIInChI=1S/C23H26FN5O2/c1-15-12-17-18(27-15)6-7-19(21(17)24)31-23-22-16(2)20(13-29(22)26-14-25-23)30-11-5-10-28-8-3-4-9-28/h6-7,12-14,27H,3-5,8-11H2,1-2H3
InChIKeyBOXUVZUCCJGJJB-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.62
Rot. Bonds7

About 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-pyrrolidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-pyrrolidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 11510084) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-pyrrolidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-pyrrolidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine
PubChem CID11510084
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-pyrrolidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCC5)c(C)c34)ccc2[nH]1
InChIInChI=1S/C23H26FN5O2/c1-15-12-17-18(27-15)6-7-19(21(17)24)31-23-22-16(2)20(13-29(22)26-14-25-23)30-11-5-10-28-8-3-4-9-28/h6-7,12-14,27H,3-5,8-11H2,1-2H3
InChIKeyBOXUVZUCCJGJJB-UHFFFAOYSA-N
XLogP4.62
TPSA67.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-pyrrolidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-pyrrolidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine (CID 11510084) is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-pyrrolidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-pyrrolidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-pyrrolidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine is Cc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCC5)c(C)c34)ccc2[nH]1.
What is the InChIKey of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-pyrrolidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is BOXUVZUCCJGJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-15-12-17-18(27-15)6-7-19(21(17)24)31-23-22-16(2)20(13-29(22)26-14-25-23)30-11-5-10-28-8-3-4-9-28/h6-7,12-14,27H,3-5,8-11H2,1-2H3.
What are the key properties of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-pyrrolidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine?
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-pyrrolidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 423.49 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-pyrrolidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 11510084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).