ethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate

C18H14FN5O2 — CID 25056897

IUPACethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cncc(-n3ccc4ccc(F)cc43)n2)c1
InChIInChI=1S/C18H14FN5O2/c1-2-26-18(25)13-8-21-24(11-13)17-10-20-9-16(22-17)23-6-5-12-3-4-14(19)7-15(12)23/h3-11H,2H2,1H3
InChIKeyQLHMDLWYBJDOHG-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.92
Rot. Bonds4

About ethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate

ethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate (PubChem CID 25056897) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is ethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate
PubChem CID25056897
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC Nameethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cncc(-n3ccc4ccc(F)cc43)n2)c1
InChIInChI=1S/C18H14FN5O2/c1-2-26-18(25)13-8-21-24(11-13)17-10-20-9-16(22-17)23-6-5-12-3-4-14(19)7-15(12)23/h3-11H,2H2,1H3
InChIKeyQLHMDLWYBJDOHG-UHFFFAOYSA-N
XLogP2.92
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate (CID 25056897) is ethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cncc(-n3ccc4ccc(F)cc43)n2)c1.
What is the InChIKey of ethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate?
The InChIKey is QLHMDLWYBJDOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-2-26-18(25)13-8-21-24(11-13)17-10-20-9-16(22-17)23-6-5-12-3-4-14(19)7-15(12)23/h3-11H,2H2,1H3.
What are the key properties of ethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate?
ethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate has a molecular weight of 351.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(6-fluoroindol-1-yl)pyrazin-2-yl]pyrazole-4-carboxylate is sourced from PubChem (CID 25056897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).