3-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

C20H16FN3O2S — CID 23589691

IUPAC3-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1cc(C(=O)NCc2cccs2)cc2c(-c3cccc(F)c3)n[nH]c12
InChIInChI=1S/C20H16FN3O2S/c1-26-17-10-13(20(25)22-11-15-6-3-7-27-15)9-16-18(23-24-19(16)17)12-4-2-5-14(21)8-12/h2-10H,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyUXUTTZDBMIQDBB-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.37
Rot. Bonds5

About 3-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

3-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 23589691) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID23589691
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name3-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1cc(C(=O)NCc2cccs2)cc2c(-c3cccc(F)c3)n[nH]c12
InChIInChI=1S/C20H16FN3O2S/c1-26-17-10-13(20(25)22-11-15-6-3-7-27-15)9-16-18(23-24-19(16)17)12-4-2-5-14(21)8-12/h2-10H,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyUXUTTZDBMIQDBB-UHFFFAOYSA-N
XLogP4.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide 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-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (CID 23589691) is 3-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is COc1cc(C(=O)NCc2cccs2)cc2c(-c3cccc(F)c3)n[nH]c12.
What is the InChIKey of 3-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is UXUTTZDBMIQDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c1-26-17-10-13(20(25)22-11-15-6-3-7-27-15)9-16-18(23-24-19(16)17)12-4-2-5-14(21)8-12/h2-10H,11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
3-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-7-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).