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

C24H17F3N4O2S2 — CID 158900089

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

methane;[2-[3-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 158900089) has the molecular formula C24H17F3N4O2S2 and a molecular weight of 514.55 g/mol. Its IUPAC name is methane;[2-[3-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

• Compound Name: methane;[2-[3-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
• PubChem CID: 158900089
• Molecular Formula: C24H17F3N4O2S2
• Molecular Weight: 514.55 g/mol
• Exact Mass: 514.07
• IUPAC Name: methane;[2-[3-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
• SMILES: C.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(Sc4cccc(C(F)(F)F)c4)nc32)n1
• InChI: InChI=1S/C23H13F3N4O2S2.CH4/c24-23(25,26)15-7-4-8-16(11-15)34-19-10-9-17-20(14-5-2-1-3-6-14)29-30(21(17)28-19)22-27-18(12-33-22)32-13-31;/h1-13H;1H4
• InChIKey: JFIBHPVFNUGZDO-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 69.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.55
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;[2-[3-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate?

The IUPAC name of methane;[2-[3-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate (CID 158900089) is methane;[2-[3-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate.

What is the SMILES notation for methane;[2-[3-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate?

The canonical SMILES for methane;[2-[3-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate is C.O=COc1csc(-n2nc(-c3ccccc3)c3ccc(Sc4cccc(C(F)(F)F)c4)nc32)n1.

What is the InChIKey of methane;[2-[3-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate?

The InChIKey is JFIBHPVFNUGZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F3N4O2S2.CH4/c24-23(25,26)15-7-4-8-16(11-15)34-19-10-9-17-20(14-5-2-1-3-6-14)29-30(21(17)28-19)22-27-18(12-33-22)32-13-31;/h1-13H;1H4.

What are the key properties of methane;[2-[3-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate?

methane;[2-[3-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 514.55 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methane;[2-[3-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 158900089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).