N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide

C34H41F3N8O3 — CID 176923931

About N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide

N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide (PubChem CID 176923931) has the molecular formula C34H41F3N8O3 and a molecular weight of 666.75 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
• PubChem CID: 176923931
• Molecular Formula: C34H41F3N8O3
• Molecular Weight: 666.75 g/mol
• Exact Mass: 666.33
• IUPAC Name: N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
• SMILES: CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CC(Oc3ccnc4c3CN(CC3CN(C)C3)CC4)C2)C1
• InChI: InChI=1S/C34H41F3N8O3/c1-21(2)45(17-30(36)37)33(46)25-10-23(35)4-5-28(25)48-32-31(39-20-40-41-32)44-18-34(19-44)11-24(12-34)47-29-6-8-38-27-7-9-43(16-26(27)29)15-22-13-42(3)14-22/h4-6,8,10,20-22,24,30H,7,9,11-19H2,1-3H3
• InChIKey: MGQYRVZHOCVVIO-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 100.05 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	666.75
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide?

The IUPAC name of N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide (CID 176923931) is N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide.

What is the SMILES notation for N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide?

The canonical SMILES for N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide is CC(C)N(CC(F)F)C(=O)c1cc(F)ccc1Oc1nncnc1N1CC2(CC(Oc3ccnc4c3CN(CC3CN(C)C3)CC4)C2)C1.

What is the InChIKey of N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide?

The InChIKey is MGQYRVZHOCVVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41F3N8O3/c1-21(2)45(17-30(36)37)33(46)25-10-23(35)4-5-28(25)48-32-31(39-20-40-41-32)44-18-34(19-44)11-24(12-34)47-29-6-8-38-27-7-9-43(16-26(27)29)15-22-13-42(3)14-22/h4-6,8,10,20-22,24,30H,7,9,11-19H2,1-3H3.

What are the key properties of N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide?

N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide has a molecular weight of 666.75 g/mol, XLogP of 4.28, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 176923931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).