2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(4-cyano-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide

C24H23F3N8O3 — CID 170429365

About 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(4-cyano-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide

2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(4-cyano-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide (PubChem CID 170429365) has the molecular formula C24H23F3N8O3 and a molecular weight of 528.50 g/mol. Its IUPAC name is 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(4-cyano-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

• Compound Name: 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(4-cyano-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
• PubChem CID: 170429365
• Molecular Formula: C24H23F3N8O3
• Molecular Weight: 528.50 g/mol
• Exact Mass: 528.18
• IUPAC Name: 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(4-cyano-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
• SMILES: CC(NC(=O)N1CCC2(C1)OCCn1nc(-c3cnc(N)c(OC(F)(F)F)c3)cc12)c1cc(C#N)ccn1
• InChI: InChI=1S/C24H23F3N8O3/c1-14(17-8-15(11-28)2-4-30-17)32-22(36)34-5-3-23(13-34)20-10-18(33-35(20)6-7-37-23)16-9-19(21(29)31-12-16)38-24(25,26)27/h2,4,8-10,12,14H,3,5-7,13H2,1H3,(H2,29,31)(H,32,36)
• InChIKey: RCIVGTRKWMIDGS-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 144.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.50
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(4-cyano-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide (CID 170429365) is 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(4-cyano-2-pyridinyl)ethyl]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-(trifluoromethoxy)-3-pyridinyl]-N-[1-(4-cyano-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide?

The canonical SMILES for 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(4-cyano-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide is CC(NC(=O)N1CCC2(C1)OCCn1nc(-c3cnc(N)c(OC(F)(F)F)c3)cc12)c1cc(C#N)ccn1.

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

The InChIKey is RCIVGTRKWMIDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N8O3/c1-14(17-8-15(11-28)2-4-30-17)32-22(36)34-5-3-23(13-34)20-10-18(33-35(20)6-7-37-23)16-9-19(21(29)31-12-16)38-24(25,26)27/h2,4,8-10,12,14H,3,5-7,13H2,1H3,(H2,29,31)(H,32,36).

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

2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(4-cyano-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 528.50 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-N-[1-(4-cyano-2-pyridinyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 170429365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).