2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C21H23F3N4O3 — CID 50791157

About 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 50791157) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
• PubChem CID: 50791157
• Molecular Formula: C21H23F3N4O3
• Molecular Weight: 436.43 g/mol
• Exact Mass: 436.17
• IUPAC Name: 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
• SMILES: Cc1nn(C)c2nc(OCC(=O)NCc3ccc(OC(C)C)cc3)cc(C(F)(F)F)c12
• InChI: InChI=1S/C21H23F3N4O3/c1-12(2)31-15-7-5-14(6-8-15)10-25-17(29)11-30-18-9-16(21(22,23)24)19-13(3)27-28(4)20(19)26-18/h5-9,12H,10-11H2,1-4H3,(H,25,29)
• InChIKey: WROFGEDDISDLLH-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.43
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?

The IUPAC name of 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 50791157) is 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

What is the SMILES notation for 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?

The canonical SMILES for 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is Cc1nn(C)c2nc(OCC(=O)NCc3ccc(OC(C)C)cc3)cc(C(F)(F)F)c12.

What is the InChIKey of 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?

The InChIKey is WROFGEDDISDLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-12(2)31-15-7-5-14(6-8-15)10-25-17(29)11-30-18-9-16(21(22,23)24)19-13(3)27-28(4)20(19)26-18/h5-9,12H,10-11H2,1-4H3,(H,25,29).

What are the key properties of 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?

2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 436.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 50791157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).