2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide

C24H26F3N7O2 — CID 164859348

About 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide

2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 164859348) has the molecular formula C24H26F3N7O2 and a molecular weight of 501.51 g/mol. Its IUPAC name is 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

• Compound Name: 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
• PubChem CID: 164859348
• Molecular Formula: C24H26F3N7O2
• Molecular Weight: 501.51 g/mol
• Exact Mass: 501.21
• IUPAC Name: 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
• SMILES: CC(C)(NC(=O)N1CCC2(C1)OCCn1nc(-c3cnc(N)c(C(F)(F)F)c3)cc12)c1ccccn1
• InChI: InChI=1S/C24H26F3N7O2/c1-22(2,18-5-3-4-7-29-18)31-21(35)33-8-6-23(14-33)19-12-17(32-34(19)9-10-36-23)15-11-16(24(25,26)27)20(28)30-13-15/h3-5,7,11-13H,6,8-10,14H2,1-2H3,(H2,28,30)(H,31,35)
• InChIKey: RJSJSWGTMRZVON-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 111.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.51
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?

The IUPAC name of 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide (CID 164859348) is 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide.

What is the SMILES notation for 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?

The canonical SMILES for 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide is CC(C)(NC(=O)N1CCC2(C1)OCCn1nc(-c3cnc(N)c(C(F)(F)F)c3)cc12)c1ccccn1.

What is the InChIKey of 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?

The InChIKey is RJSJSWGTMRZVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O2/c1-22(2,18-5-3-4-7-29-18)31-21(35)33-8-6-23(14-33)19-12-17(32-34(19)9-10-36-23)15-11-16(24(25,26)27)20(28)30-13-15/h3-5,7,11-13H,6,8-10,14H2,1-2H3,(H2,28,30)(H,31,35).

What are the key properties of 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?

2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 501.51 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-(2-pyridin-2-ylpropan-2-yl)spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 164859348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).