[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate

C17H9F3N4O2S — CID 88910816

IUPAC[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccccc3)c3ccc(C(F)(F)F)nc32)n1
InChIInChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-11-14(10-4-2-1-3-5-10)23-24(15(11)21-12)16-22-13(8-27-16)26-9-25/h1-9H
InChIKeySFIIJBBHSOJXCY-UHFFFAOYSA-N
MW390.35 g/mol
LogP4.10
Rot. Bonds4

About [2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate

[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 88910816) has the molecular formula C17H9F3N4O2S and a molecular weight of 390.35 g/mol. Its IUPAC name is [2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
PubChem CID88910816
Molecular FormulaC17H9F3N4O2S
Molecular Weight390.35 g/mol
Exact Mass390.04
IUPAC Name[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccccc3)c3ccc(C(F)(F)F)nc32)n1
InChIInChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-11-14(10-4-2-1-3-5-10)23-24(15(11)21-12)16-22-13(8-27-16)26-9-25/h1-9H
InChIKeySFIIJBBHSOJXCY-UHFFFAOYSA-N
XLogP4.10
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate (CID 88910816) is [2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate is O=COc1csc(-n2nc(-c3ccccc3)c3ccc(C(F)(F)F)nc32)n1.
What is the InChIKey of [2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate?
The InChIKey is SFIIJBBHSOJXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-11-14(10-4-2-1-3-5-10)23-24(15(11)21-12)16-22-13(8-27-16)26-9-25/h1-9H.
What are the key properties of [2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate?
[2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 390.35 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).