N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide

C37H48FN7O4 — CID 176923464

About N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide

N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide (PubChem CID 176923464) has the molecular formula C37H48FN7O4 and a molecular weight of 673.83 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide
• PubChem CID: 176923464
• Molecular Formula: C37H48FN7O4
• Molecular Weight: 673.83 g/mol
• Exact Mass: 673.38
• IUPAC Name: N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide
• SMILES: CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3CN(CC(O)CN3CCCC3)CC4)C2)C1)C(C)C
• InChI: InChI=1S/C37H48FN7O4/c1-4-45(25(2)3)36(47)29-15-26(38)7-8-32(29)49-34-18-39-24-41-35(34)44-22-37(23-44)16-28(17-37)48-33-9-11-40-31-10-14-43(21-30(31)33)20-27(46)19-42-12-5-6-13-42/h7-9,11,15,18,24-25,27-28,46H,4-6,10,12-14,16-17,19-23H2,1-3H3
• InChIKey: DCBIIWYCWDOBEP-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 107.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	673.83
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide?

The IUPAC name of N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide (CID 176923464) is N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide.

What is the SMILES notation for N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide?

The canonical SMILES for N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide is CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3CN(CC(O)CN3CCCC3)CC4)C2)C1)C(C)C.

What is the InChIKey of N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide?

The InChIKey is DCBIIWYCWDOBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48FN7O4/c1-4-45(25(2)3)36(47)29-15-26(38)7-8-32(29)49-34-18-39-24-41-35(34)44-22-37(23-44)16-28(17-37)48-33-9-11-40-31-10-14-43(21-30(31)33)20-27(46)19-42-12-5-6-13-42/h7-9,11,15,18,24-25,27-28,46H,4-6,10,12-14,16-17,19-23H2,1-3H3.

What are the key properties of N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide?

N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide has a molecular weight of 673.83 g/mol, XLogP of 4.54, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 176923464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).