methyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-carboxylate

C17H14F2N2O2 — CID 58182964

IUPACmethyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(C)ccc12
InChIInChI=1S/C17H14F2N2O2/c1-10-3-6-13-15(7-10)21(20-16(13)17(22)23-2)9-11-4-5-12(18)8-14(11)19/h3-8H,9H2,1-2H3
InChIKeyIODGHVZTXYNQKC-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.46
Rot. Bonds3

About methyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-carboxylate

methyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-carboxylate (PubChem CID 58182964) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is methyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-carboxylate
PubChem CID58182964
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Namemethyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(C)ccc12
InChIInChI=1S/C17H14F2N2O2/c1-10-3-6-13-15(7-10)21(20-16(13)17(22)23-2)9-11-4-5-12(18)8-14(11)19/h3-8H,9H2,1-2H3
InChIKeyIODGHVZTXYNQKC-UHFFFAOYSA-N
XLogP3.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-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 methyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-carboxylate?
The IUPAC name of methyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-carboxylate (CID 58182964) is methyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-carboxylate.
What is the SMILES notation for methyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-carboxylate?
The canonical SMILES for methyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-carboxylate is COC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(C)ccc12.
What is the InChIKey of methyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-carboxylate?
The InChIKey is IODGHVZTXYNQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c1-10-3-6-13-15(7-10)21(20-16(13)17(22)23-2)9-11-4-5-12(18)8-14(11)19/h3-8H,9H2,1-2H3.
What are the key properties of methyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-carboxylate?
methyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-carboxylate has a molecular weight of 316.31 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2,4-difluorophenyl)methyl]-6-methylindazole-3-carboxylate is sourced from PubChem (CID 58182964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).