N-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide

C18H20FN3O2 — CID 123215598

IUPACN-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide
SMILESCCNC(=O)CC(C)(C)c1[nH]nc2cccc(-c3ccc(F)o3)c12
InChIInChI=1S/C18H20FN3O2/c1-4-20-15(23)10-18(2,3)17-16-11(13-8-9-14(19)24-13)6-5-7-12(16)21-22-17/h5-9H,4,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIFKQJASMNQFFCD-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.77
Rot. Bonds5

About N-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide

N-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide (PubChem CID 123215598) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide
PubChem CID123215598
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide
SMILESCCNC(=O)CC(C)(C)c1[nH]nc2cccc(-c3ccc(F)o3)c12
InChIInChI=1S/C18H20FN3O2/c1-4-20-15(23)10-18(2,3)17-16-11(13-8-9-14(19)24-13)6-5-7-12(16)21-22-17/h5-9H,4,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIFKQJASMNQFFCD-UHFFFAOYSA-N
XLogP3.77
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide 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 N-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide?
The IUPAC name of N-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide (CID 123215598) is N-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide?
The canonical SMILES for N-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide is CCNC(=O)CC(C)(C)c1[nH]nc2cccc(-c3ccc(F)o3)c12.
What is the InChIKey of N-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide?
The InChIKey is IFKQJASMNQFFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-4-20-15(23)10-18(2,3)17-16-11(13-8-9-14(19)24-13)6-5-7-12(16)21-22-17/h5-9H,4,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide?
N-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide has a molecular weight of 329.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide is sourced from PubChem (CID 123215598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).