2,2,2-trifluoro-N-[2-fluoro-3-hydroxy-5-[3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]phenyl]acetamide

C21H19F4N5O3 — CID 163234196

About 2,2,2-trifluoro-N-[2-fluoro-3-hydroxy-5-[3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]phenyl]acetamide

2,2,2-trifluoro-N-[2-fluoro-3-hydroxy-5-[3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]phenyl]acetamide (PubChem CID 163234196) has the molecular formula C21H19F4N5O3 and a molecular weight of 465.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-fluoro-3-hydroxy-5-[3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-N-[2-fluoro-3-hydroxy-5-[3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]phenyl]acetamide
• PubChem CID: 163234196
• Molecular Formula: C21H19F4N5O3
• Molecular Weight: 465.41 g/mol
• Exact Mass: 465.14
• IUPAC Name: 2,2,2-trifluoro-N-[2-fluoro-3-hydroxy-5-[3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]phenyl]acetamide
• SMILES: Cc1nn(-c2cc(O)c(F)c(NC(=O)C(F)(F)F)c2)c2cnc(N3CCOCC34CC4)cc12
• InChI: InChI=1S/C21H19F4N5O3/c1-11-13-8-17(29-4-5-33-10-20(29)2-3-20)26-9-15(13)30(28-11)12-6-14(18(22)16(31)7-12)27-19(32)21(23,24)25/h6-9,31H,2-5,10H2,1H3,(H,27,32)
• InChIKey: WEYYWMKRDLQVIZ-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 92.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.41
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-fluoro-3-hydroxy-5-[3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]phenyl]acetamide?

The IUPAC name of 2,2,2-trifluoro-N-[2-fluoro-3-hydroxy-5-[3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]phenyl]acetamide (CID 163234196) is 2,2,2-trifluoro-N-[2-fluoro-3-hydroxy-5-[3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]phenyl]acetamide.

What is the SMILES notation for 2,2,2-trifluoro-N-[2-fluoro-3-hydroxy-5-[3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]phenyl]acetamide?

The canonical SMILES for 2,2,2-trifluoro-N-[2-fluoro-3-hydroxy-5-[3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]phenyl]acetamide is Cc1nn(-c2cc(O)c(F)c(NC(=O)C(F)(F)F)c2)c2cnc(N3CCOCC34CC4)cc12.

What is the InChIKey of 2,2,2-trifluoro-N-[2-fluoro-3-hydroxy-5-[3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]phenyl]acetamide?

The InChIKey is WEYYWMKRDLQVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N5O3/c1-11-13-8-17(29-4-5-33-10-20(29)2-3-20)26-9-15(13)30(28-11)12-6-14(18(22)16(31)7-12)27-19(32)21(23,24)25/h6-9,31H,2-5,10H2,1H3,(H,27,32).

What are the key properties of 2,2,2-trifluoro-N-[2-fluoro-3-hydroxy-5-[3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]phenyl]acetamide?

2,2,2-trifluoro-N-[2-fluoro-3-hydroxy-5-[3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]phenyl]acetamide has a molecular weight of 465.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-N-[2-fluoro-3-hydroxy-5-[3-methyl-5-(7-oxa-4-azaspiro[2.5]octan-4-yl)pyrazolo[3,4-c]pyridin-1-yl]phenyl]acetamide is sourced from PubChem (CID 163234196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).