3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole

C19H19FN4 — CID 139513732

IUPAC3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole
SMILESCCc1nn(C)c2cc(C(C)c3[nH]nc4cc(F)ccc34)ccc12
InChIInChI=1S/C19H19FN4/c1-4-16-14-7-5-12(9-18(14)24(3)23-16)11(2)19-15-8-6-13(20)10-17(15)21-22-19/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyLUHNAAUZLCJWAM-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.30
Rot. Bonds3

About 3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole

3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole (PubChem CID 139513732) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole.

Molecular Properties

Compound Name3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole
PubChem CID139513732
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole
SMILESCCc1nn(C)c2cc(C(C)c3[nH]nc4cc(F)ccc34)ccc12
InChIInChI=1S/C19H19FN4/c1-4-16-14-7-5-12(9-18(14)24(3)23-16)11(2)19-15-8-6-13(20)10-17(15)21-22-19/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyLUHNAAUZLCJWAM-UHFFFAOYSA-N
XLogP4.30
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole 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 3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole?
The IUPAC name of 3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole (CID 139513732) is 3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole.
What is the SMILES notation for 3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole?
The canonical SMILES for 3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole is CCc1nn(C)c2cc(C(C)c3[nH]nc4cc(F)ccc34)ccc12.
What is the InChIKey of 3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole?
The InChIKey is LUHNAAUZLCJWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-4-16-14-7-5-12(9-18(14)24(3)23-16)11(2)19-15-8-6-13(20)10-17(15)21-22-19/h5-11H,4H2,1-3H3,(H,21,22).
What are the key properties of 3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole?
3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole has a molecular weight of 322.39 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[1-(6-fluoro-2H-indazol-3-yl)ethyl]-1-methylindazole is sourced from PubChem (CID 139513732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).