4-(furan-2-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide

C25H15F6N5O4S — CID 19265612

About 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide

4-(furan-2-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 19265612) has the molecular formula C25H15F6N5O4S and a molecular weight of 595.48 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 19265612
• Molecular Formula: C25H15F6N5O4S
• Molecular Weight: 595.48 g/mol
• Exact Mass: 595.07
• IUPAC Name: 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: NC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1
• InChI: InChI=1S/C25H15F6N5O4S/c26-24(27,28)12-3-1-4-13(9-12)40-11-36-7-6-15(35-36)22(38)34-19-18-14(16-5-2-8-39-16)10-17(25(29,30)31)33-23(18)41-20(19)21(32)37/h1-10H,11H2,(H2,32,37)(H,34,38)
• InChIKey: HLPCQBWWSPGUGA-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 125.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.48
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide (CID 19265612) is 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is NC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccco3)c2c1NC(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1.

What is the InChIKey of 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is HLPCQBWWSPGUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F6N5O4S/c26-24(27,28)12-3-1-4-13(9-12)40-11-36-7-6-15(35-36)22(38)34-19-18-14(16-5-2-8-39-16)10-17(25(29,30)31)33-23(18)41-20(19)21(32)37/h1-10H,11H2,(H2,32,37)(H,34,38).

What are the key properties of 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide?

4-(furan-2-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 595.48 g/mol, XLogP of 6.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-yl)-6-(trifluoromethyl)-3-[[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 19265612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).