2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide

C25H26F4N6O2 — CID 164859757

About 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide

2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 164859757) has the molecular formula C25H26F4N6O2 and a molecular weight of 518.52 g/mol. Its IUPAC name is 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

• Compound Name: 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
• PubChem CID: 164859757
• Molecular Formula: C25H26F4N6O2
• Molecular Weight: 518.52 g/mol
• Exact Mass: 518.21
• IUPAC Name: 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
• SMILES: CC(C)(NC(=O)N1CCC2(CCn3nc(-c4cnc(N)c(OC(F)(F)F)c4)cc32)C1)c1cccc(F)c1
• InChI: InChI=1S/C25H26F4N6O2/c1-23(2,16-4-3-5-17(26)11-16)32-22(36)34-8-6-24(14-34)7-9-35-20(24)12-18(33-35)15-10-19(21(30)31-13-15)37-25(27,28)29/h3-5,10-13H,6-9,14H2,1-2H3,(H2,30,31)(H,32,36)
• InChIKey: AGLFTZZWZMLKHG-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 98.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.52
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?

The IUPAC name of 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide (CID 164859757) is 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide.

What is the SMILES notation for 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?

The canonical SMILES for 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is CC(C)(NC(=O)N1CCC2(CCn3nc(-c4cnc(N)c(OC(F)(F)F)c4)cc32)C1)c1cccc(F)c1.

What is the InChIKey of 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?

The InChIKey is AGLFTZZWZMLKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N6O2/c1-23(2,16-4-3-5-17(26)11-16)32-22(36)34-8-6-24(14-34)7-9-35-20(24)12-18(33-35)15-10-19(21(30)31-13-15)37-25(27,28)29/h3-5,10-13H,6-9,14H2,1-2H3,(H2,30,31)(H,32,36).

What are the key properties of 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide?

2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 518.52 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[2-(3-fluorophenyl)propan-2-yl]spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 164859757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).