5-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[2-methyl-5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]thiophen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C26H23F3N8O3S — CID 175682901

About 5-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[2-methyl-5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]thiophen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[2-methyl-5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]thiophen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175682901) has the molecular formula C26H23F3N8O3S and a molecular weight of 584.58 g/mol. Its IUPAC name is 5-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[2-methyl-5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]thiophen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[2-methyl-5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]thiophen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 175682901
• Molecular Formula: C26H23F3N8O3S
• Molecular Weight: 584.58 g/mol
• Exact Mass: 584.16
• IUPAC Name: 5-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[2-methyl-5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]thiophen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1nc(N)nc(C)c1-c1ccn2ncc(C(=O)Nc3cc(-c4noc(C5CC(OC(F)(F)F)C5)n4)sc3C)c2c1
• InChI: InChI=1S/C26H23F3N8O3S/c1-11-21(12(2)33-25(30)32-11)14-4-5-37-19(8-14)17(10-31-37)23(38)34-18-9-20(41-13(18)3)22-35-24(40-36-22)15-6-16(7-15)39-26(27,28)29/h4-5,8-10,15-16H,6-7H2,1-3H3,(H,34,38)(H2,30,32,33)
• InChIKey: HHWCJFAEBDFFKB-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 146.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	584.58
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[2-methyl-5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]thiophen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[2-methyl-5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]thiophen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 175682901) is 5-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[2-methyl-5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]thiophen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[2-methyl-5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]thiophen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[2-methyl-5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]thiophen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1nc(N)nc(C)c1-c1ccn2ncc(C(=O)Nc3cc(-c4noc(C5CC(OC(F)(F)F)C5)n4)sc3C)c2c1.

What is the InChIKey of 5-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[2-methyl-5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]thiophen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is HHWCJFAEBDFFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N8O3S/c1-11-21(12(2)33-25(30)32-11)14-4-5-37-19(8-14)17(10-31-37)23(38)34-18-9-20(41-13(18)3)22-35-24(40-36-22)15-6-16(7-15)39-26(27,28)29/h4-5,8-10,15-16H,6-7H2,1-3H3,(H,34,38)(H2,30,32,33).

What are the key properties of 5-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[2-methyl-5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]thiophen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?

5-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[2-methyl-5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]thiophen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 584.58 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[2-methyl-5-[5-[3-(trifluoromethoxy)cyclobutyl]-1,2,4-oxadiazol-3-yl]thiophen-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175682901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).