N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

C24H20F3N5O3 — CID 55515590

About N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (PubChem CID 55515590) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.

Molecular Properties

• Compound Name: N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
• PubChem CID: 55515590
• Molecular Formula: C24H20F3N5O3
• Molecular Weight: 483.45 g/mol
• Exact Mass: 483.15
• IUPAC Name: N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
• SMILES: Cc1nn(C)c2ncc(NC(=O)c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc12
• InChI: InChI=1S/C24H20F3N5O3/c1-14-20-11-18(12-28-22(20)32(2)31-14)30-23(34)15-6-8-19(9-7-15)35-13-21(33)29-17-5-3-4-16(10-17)24(25,26)27/h3-12H,13H2,1-2H3,(H,29,33)(H,30,34)
• InChIKey: RCQXEGUUKJMYIB-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 98.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.45
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?

The IUPAC name of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (CID 55515590) is N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.

What is the SMILES notation for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?

The canonical SMILES for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is Cc1nn(C)c2ncc(NC(=O)c3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc12.

What is the InChIKey of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?

The InChIKey is RCQXEGUUKJMYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-14-20-11-18(12-28-22(20)32(2)31-14)30-23(34)15-6-8-19(9-7-15)35-13-21(33)29-17-5-3-4-16(10-17)24(25,26)27/h3-12H,13H2,1-2H3,(H,29,33)(H,30,34).

What are the key properties of N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide has a molecular weight of 483.45 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is sourced from PubChem (CID 55515590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).