1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole

C17H15F2N3 — CID 135187829

IUPAC1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole
SMILESCCc1cc(-c2cc3cc(F)c(F)cc3n2C2CC2)cnn1
InChIInChI=1S/C17H15F2N3/c1-2-12-5-11(9-20-21-12)16-7-10-6-14(18)15(19)8-17(10)22(16)13-3-4-13/h5-9,13H,2-4H2,1H3
InChIKeyJQPAILLCTKLELI-UHFFFAOYSA-N
MW299.32 g/mol
LogP4.27
Rot. Bonds3

About 1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole

1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole (PubChem CID 135187829) has the molecular formula C17H15F2N3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole.

Molecular Properties

Compound Name1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole
PubChem CID135187829
Molecular FormulaC17H15F2N3
Molecular Weight299.32 g/mol
Exact Mass299.12
IUPAC Name1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole
SMILESCCc1cc(-c2cc3cc(F)c(F)cc3n2C2CC2)cnn1
InChIInChI=1S/C17H15F2N3/c1-2-12-5-11(9-20-21-12)16-7-10-6-14(18)15(19)8-17(10)22(16)13-3-4-13/h5-9,13H,2-4H2,1H3
InChIKeyJQPAILLCTKLELI-UHFFFAOYSA-N
XLogP4.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole?
The IUPAC name of 1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole (CID 135187829) is 1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole.
What is the SMILES notation for 1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole?
The canonical SMILES for 1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole is CCc1cc(-c2cc3cc(F)c(F)cc3n2C2CC2)cnn1.
What is the InChIKey of 1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole?
The InChIKey is JQPAILLCTKLELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3/c1-2-12-5-11(9-20-21-12)16-7-10-6-14(18)15(19)8-17(10)22(16)13-3-4-13/h5-9,13H,2-4H2,1H3.
What are the key properties of 1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole?
1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole has a molecular weight of 299.32 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(6-ethylpyridazin-4-yl)-5,6-difluoroindole is sourced from PubChem (CID 135187829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).