1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-one

C17H15F3N2O2 — CID 122623124

IUPAC1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-one
SMILESCc1ccc(OC(F)F)c(Cn2c3c(F)cccc3c(=O)n2C)c1
InChIInChI=1S/C17H15F3N2O2/c1-10-6-7-14(24-17(19)20)11(8-10)9-22-15-12(16(23)21(22)2)4-3-5-13(15)18/h3-8,17H,9H2,1-2H3
InChIKeyDALKGFJQRNYFDN-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.44
Rot. Bonds4

About 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-one

1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-one (PubChem CID 122623124) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-one.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-one
PubChem CID122623124
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-one
SMILESCc1ccc(OC(F)F)c(Cn2c3c(F)cccc3c(=O)n2C)c1
InChIInChI=1S/C17H15F3N2O2/c1-10-6-7-14(24-17(19)20)11(8-10)9-22-15-12(16(23)21(22)2)4-3-5-13(15)18/h3-8,17H,9H2,1-2H3
InChIKeyDALKGFJQRNYFDN-UHFFFAOYSA-N
XLogP3.44
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-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-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-one?
The IUPAC name of 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-one (CID 122623124) is 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-one.
What is the SMILES notation for 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-one?
The canonical SMILES for 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-one is Cc1ccc(OC(F)F)c(Cn2c3c(F)cccc3c(=O)n2C)c1.
What is the InChIKey of 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-one?
The InChIKey is DALKGFJQRNYFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-10-6-7-14(24-17(19)20)11(8-10)9-22-15-12(16(23)21(22)2)4-3-5-13(15)18/h3-8,17H,9H2,1-2H3.
What are the key properties of 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-one?
1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-one has a molecular weight of 336.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-7-fluoro-2-methylindazol-3-one is sourced from PubChem (CID 122623124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).