[2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate

C16H9FN4O2S — CID 88910740

IUPAC[2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccc(F)nc3)c3ccccc32)n1
InChIInChI=1S/C16H9FN4O2S/c17-13-6-5-10(7-18-13)15-11-3-1-2-4-12(11)21(20-15)16-19-14(8-24-16)23-9-22/h1-9H
InChIKeyBGASXYWOIJCVRQ-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.22
Rot. Bonds4

About [2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate

[2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 88910740) has the molecular formula C16H9FN4O2S and a molecular weight of 340.34 g/mol. Its IUPAC name is [2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
PubChem CID88910740
Molecular FormulaC16H9FN4O2S
Molecular Weight340.34 g/mol
Exact Mass340.04
IUPAC Name[2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccc(F)nc3)c3ccccc32)n1
InChIInChI=1S/C16H9FN4O2S/c17-13-6-5-10(7-18-13)15-11-3-1-2-4-12(11)21(20-15)16-19-14(8-24-16)23-9-22/h1-9H
InChIKeyBGASXYWOIJCVRQ-UHFFFAOYSA-N
XLogP3.22
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate 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 [2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (CID 88910740) is [2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is O=COc1csc(-n2nc(-c3ccc(F)nc3)c3ccccc32)n1.
What is the InChIKey of [2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The InChIKey is BGASXYWOIJCVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN4O2S/c17-13-6-5-10(7-18-13)15-11-3-1-2-4-12(11)21(20-15)16-19-14(8-24-16)23-9-22/h1-9H.
What are the key properties of [2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
[2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 340.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(6-fluoro-3-pyridinyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).