ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;2-(3-hydroxy-3-methylbutyl)-N-methyl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide

C43H45F6N9O7 — CID 165097294

About ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;2-(3-hydroxy-3-methylbutyl)-N-methyl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide

ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;2-(3-hydroxy-3-methylbutyl)-N-methyl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 165097294) has the molecular formula C43H45F6N9O7 and a molecular weight of 913.88 g/mol. Its IUPAC name is ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;2-(3-hydroxy-3-methylbutyl)-N-methyl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;2-(3-hydroxy-3-methylbutyl)-N-methyl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide
• PubChem CID: 165097294
• Molecular Formula: C43H45F6N9O7
• Molecular Weight: 913.88 g/mol
• Exact Mass: 913.33
• IUPAC Name: ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;2-(3-hydroxy-3-methylbutyl)-N-methyl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide
• SMILES: CCOC(=O)c1cn2nc(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.CNC(=O)c1cn2nc(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C22H23F3N4O4.C21H22F3N5O3/c1-4-33-20(31)15-12-29-14(10-13(28-29)8-9-21(2,3)32)11-17(15)27-19(30)16-6-5-7-18(26-16)22(23,24)25;1-20(2,32)8-7-12-9-13-10-16(14(18(30)25-3)11-29(13)28-12)27-19(31)15-5-4-6-17(26-15)21(22,23)24/h5-7,10-12,32H,4,8-9H2,1-3H3,(H,27,30);4-6,9-11,32H,7-8H2,1-3H3,(H,25,30)(H,27,31)
• InChIKey: XSJCDOODIMZKEG-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 214.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	913.88
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;2-(3-hydroxy-3-methylbutyl)-N-methyl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide?

The IUPAC name of ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;2-(3-hydroxy-3-methylbutyl)-N-methyl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide (CID 165097294) is ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;2-(3-hydroxy-3-methylbutyl)-N-methyl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide.

What is the SMILES notation for ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;2-(3-hydroxy-3-methylbutyl)-N-methyl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide?

The canonical SMILES for ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;2-(3-hydroxy-3-methylbutyl)-N-methyl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide is CCOC(=O)c1cn2nc(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.CNC(=O)c1cn2nc(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.

What is the InChIKey of ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;2-(3-hydroxy-3-methylbutyl)-N-methyl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide?

The InChIKey is XSJCDOODIMZKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O4.C21H22F3N5O3/c1-4-33-20(31)15-12-29-14(10-13(28-29)8-9-21(2,3)32)11-17(15)27-19(30)16-6-5-7-18(26-16)22(23,24)25;1-20(2,32)8-7-12-9-13-10-16(14(18(30)25-3)11-29(13)28-12)27-19(31)15-5-4-6-17(26-15)21(22,23)24/h5-7,10-12,32H,4,8-9H2,1-3H3,(H,27,30);4-6,9-11,32H,7-8H2,1-3H3,(H,25,30)(H,27,31).

What are the key properties of ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;2-(3-hydroxy-3-methylbutyl)-N-methyl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide?

ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;2-(3-hydroxy-3-methylbutyl)-N-methyl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 913.88 g/mol, XLogP of 6.94, 13 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;2-(3-hydroxy-3-methylbutyl)-N-methyl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 165097294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).