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

C24H28FN5O2 — CID 11575755

IUPAC4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-piperidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCCC5)c(C)c34)ccc2[nH]1
InChIInChI=1S/C24H28FN5O2/c1-16-13-18-19(28-16)7-8-20(22(18)25)32-24-23-17(2)21(14-30(23)27-15-26-24)31-12-6-11-29-9-4-3-5-10-29/h7-8,13-15,28H,3-6,9-12H2,1-2H3
InChIKeyJOPYKTLQPXTHOU-UHFFFAOYSA-N
MW437.52 g/mol
LogP5.01
Rot. Bonds7

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

4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-piperidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 11575755) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-piperidin-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-piperidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine
PubChem CID11575755
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-piperidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine
SMILESCc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCCC5)c(C)c34)ccc2[nH]1
InChIInChI=1S/C24H28FN5O2/c1-16-13-18-19(28-16)7-8-20(22(18)25)32-24-23-17(2)21(14-30(23)27-15-26-24)31-12-6-11-29-9-4-3-5-10-29/h7-8,13-15,28H,3-6,9-12H2,1-2H3
InChIKeyJOPYKTLQPXTHOU-UHFFFAOYSA-N
XLogP5.01
TPSA67.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.52
LogP ≤ 55.01
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-piperidin-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-piperidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine (CID 11575755) is 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-piperidin-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-piperidin-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-piperidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine is Cc1cc2c(F)c(Oc3ncnn4cc(OCCCN5CCCCC5)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-piperidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is JOPYKTLQPXTHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-16-13-18-19(28-16)7-8-20(22(18)25)32-24-23-17(2)21(14-30(23)27-15-26-24)31-12-6-11-29-9-4-3-5-10-29/h7-8,13-15,28H,3-6,9-12H2,1-2H3.
What are the key properties of 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-piperidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine?
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-piperidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 437.52 g/mol, XLogP of 5.01, 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-piperidin-1-ylpropoxy)pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 11575755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).