3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide

C25H24FN3O3 — CID 171106780

IUPAC3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(CO)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C25H24FN3O3/c1-3-32-23-12-17(9-10-21(23)16-5-4-6-20(26)11-16)25(31)29(2)14-18-7-8-19(15-30)22-13-27-28-24(18)22/h4-13,30H,3,14-15H2,1-2H3,(H,27,28)
InChIKeyGRCFLVWBTSDACH-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.53
Rot. Bonds7

About 3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide

3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide (PubChem CID 171106780) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide
PubChem CID171106780
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(CO)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C25H24FN3O3/c1-3-32-23-12-17(9-10-21(23)16-5-4-6-20(26)11-16)25(31)29(2)14-18-7-8-19(15-30)22-13-27-28-24(18)22/h4-13,30H,3,14-15H2,1-2H3,(H,27,28)
InChIKeyGRCFLVWBTSDACH-UHFFFAOYSA-N
XLogP4.53
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide 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-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide?
The IUPAC name of 3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide (CID 171106780) is 3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2ccc(CO)c3cn[nH]c23)ccc1-c1cccc(F)c1.
What is the InChIKey of 3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide?
The InChIKey is GRCFLVWBTSDACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-3-32-23-12-17(9-10-21(23)16-5-4-6-20(26)11-16)25(31)29(2)14-18-7-8-19(15-30)22-13-27-28-24(18)22/h4-13,30H,3,14-15H2,1-2H3,(H,27,28).
What are the key properties of 3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide?
3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide has a molecular weight of 433.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 171106780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).