3-(4-fluorophenyl)-N-phenylmethoxy-1H-indazole-5-carboxamide

C21H16FN3O2 — CID 20789122

IUPAC3-(4-fluorophenyl)-N-phenylmethoxy-1H-indazole-5-carboxamide
SMILESO=C(NOCc1ccccc1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C21H16FN3O2/c22-17-9-6-15(7-10-17)20-18-12-16(8-11-19(18)23-24-20)21(26)25-27-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,24)(H,25,26)
InChIKeyOPZGPENRSOXOBT-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.23
Rot. Bonds5

About 3-(4-fluorophenyl)-N-phenylmethoxy-1H-indazole-5-carboxamide

3-(4-fluorophenyl)-N-phenylmethoxy-1H-indazole-5-carboxamide (PubChem CID 20789122) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-phenylmethoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-phenylmethoxy-1H-indazole-5-carboxamide
PubChem CID20789122
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name3-(4-fluorophenyl)-N-phenylmethoxy-1H-indazole-5-carboxamide
SMILESO=C(NOCc1ccccc1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C21H16FN3O2/c22-17-9-6-15(7-10-17)20-18-12-16(8-11-19(18)23-24-20)21(26)25-27-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,24)(H,25,26)
InChIKeyOPZGPENRSOXOBT-UHFFFAOYSA-N
XLogP4.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-fluorophenyl)-N-phenylmethoxy-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-(4-fluorophenyl)-N-phenylmethoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-phenylmethoxy-1H-indazole-5-carboxamide (CID 20789122) is 3-(4-fluorophenyl)-N-phenylmethoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-phenylmethoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-phenylmethoxy-1H-indazole-5-carboxamide is O=C(NOCc1ccccc1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-phenylmethoxy-1H-indazole-5-carboxamide?
The InChIKey is OPZGPENRSOXOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c22-17-9-6-15(7-10-17)20-18-12-16(8-11-19(18)23-24-20)21(26)25-27-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,24)(H,25,26).
What are the key properties of 3-(4-fluorophenyl)-N-phenylmethoxy-1H-indazole-5-carboxamide?
3-(4-fluorophenyl)-N-phenylmethoxy-1H-indazole-5-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-phenylmethoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 20789122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).