N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide

C38H51FN8O5 — CID 176923655

About N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide

N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide (PubChem CID 176923655) has the molecular formula C38H51FN8O5 and a molecular weight of 718.88 g/mol. Its IUPAC name is N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide.

Molecular Properties

• Compound Name: N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide
• PubChem CID: 176923655
• Molecular Formula: C38H51FN8O5
• Molecular Weight: 718.88 g/mol
• Exact Mass: 718.40
• IUPAC Name: N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide
• SMILES: CCC(C)N(CC)C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC(Oc2ccnc3c2CN(CCCN2CC4(COCCO4)C2)CC3)CC1
• InChI: InChI=1S/C38H51FN8O5/c1-4-27(3)47(5-2)37(48)30-21-28(39)7-8-33(30)52-36-35(41-26-42-43-36)46-17-10-29(11-18-46)51-34-9-13-40-32-12-16-44(22-31(32)34)14-6-15-45-23-38(24-45)25-49-19-20-50-38/h7-9,13,21,26-27,29H,4-6,10-12,14-20,22-25H2,1-3H3
• InChIKey: BNBAGYRWXXQLPA-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 118.51 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.88
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide?

The IUPAC name of N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide (CID 176923655) is N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide.

What is the SMILES notation for N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide?

The canonical SMILES for N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide is CCC(C)N(CC)C(=O)c1cc(F)ccc1Oc1nncnc1N1CCC(Oc2ccnc3c2CN(CCCN2CC4(COCCO4)C2)CC3)CC1.

What is the InChIKey of N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide?

The InChIKey is BNBAGYRWXXQLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51FN8O5/c1-4-27(3)47(5-2)37(48)30-21-28(39)7-8-33(30)52-36-35(41-26-42-43-36)46-17-10-29(11-18-46)51-34-9-13-40-32-12-16-44(22-31(32)34)14-6-15-45-23-38(24-45)25-49-19-20-50-38/h7-9,13,21,26-27,29H,4-6,10-12,14-20,22-25H2,1-3H3.

What are the key properties of N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide?

N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide has a molecular weight of 718.88 g/mol, XLogP of 4.36, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide is sourced from PubChem (CID 176923655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).