1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one

C17H16FN3O2 — CID 166396968

IUPAC1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one
SMILESCC(COc1ccccc1)C(=O)n1nc(N)c2ccc(F)cc21
InChIInChI=1S/C17H16FN3O2/c1-11(10-23-13-5-3-2-4-6-13)17(22)21-15-9-12(18)7-8-14(15)16(19)20-21/h2-9,11H,10H2,1H3,(H2,19,20)
InChIKeyUFEKXWZXPIHHKC-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.11
Rot. Bonds4

About 1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one

1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one (PubChem CID 166396968) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one
PubChem CID166396968
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one
SMILESCC(COc1ccccc1)C(=O)n1nc(N)c2ccc(F)cc21
InChIInChI=1S/C17H16FN3O2/c1-11(10-23-13-5-3-2-4-6-13)17(22)21-15-9-12(18)7-8-14(15)16(19)20-21/h2-9,11H,10H2,1H3,(H2,19,20)
InChIKeyUFEKXWZXPIHHKC-UHFFFAOYSA-N
XLogP3.11
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one 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 1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one?
The IUPAC name of 1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one (CID 166396968) is 1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one?
The canonical SMILES for 1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one is CC(COc1ccccc1)C(=O)n1nc(N)c2ccc(F)cc21.
What is the InChIKey of 1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one?
The InChIKey is UFEKXWZXPIHHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-11(10-23-13-5-3-2-4-6-13)17(22)21-15-9-12(18)7-8-14(15)16(19)20-21/h2-9,11H,10H2,1H3,(H2,19,20).
What are the key properties of 1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one?
1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one has a molecular weight of 313.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-fluoroindazol-1-yl)-2-methyl-3-phenoxypropan-1-one is sourced from PubChem (CID 166396968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).