6-[1-[4-[[5-[[4-[1-[1-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxy-6-methyl-2-pyridinyl]methyl]-2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C41H46F4N6O5 — CID 146287231

About 6-[1-[4-[[5-[[4-[1-[1-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxy-6-methyl-2-pyridinyl]methyl]-2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-[1-[4-[[5-[[4-[1-[1-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxy-6-methyl-2-pyridinyl]methyl]-2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146287231) has the molecular formula C41H46F4N6O5 and a molecular weight of 778.85 g/mol. Its IUPAC name is 6-[1-[4-[[5-[[4-[1-[1-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxy-6-methyl-2-pyridinyl]methyl]-2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

• Compound Name: 6-[1-[4-[[5-[[4-[1-[1-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxy-6-methyl-2-pyridinyl]methyl]-2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
• PubChem CID: 146287231
• Molecular Formula: C41H46F4N6O5
• Molecular Weight: 778.85 g/mol
• Exact Mass: 778.35
• IUPAC Name: 6-[1-[4-[[5-[[4-[1-[1-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxy-6-methyl-2-pyridinyl]methyl]-2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
• SMILES: Cc1cc(OC2CCN(C(C)c3ccc4c(n3)OCC4)CC2)cc(Cc2cnc(C(F)(F)F)cc2OC2CCN(C(C)c3nc4c(cc3F)OCCO4)CC2)n1
• InChI: InChI=1S/C41H46F4N6O5/c1-24-18-32(55-30-6-11-50(12-7-30)25(2)34-5-4-27-10-15-53-39(27)48-34)20-29(47-24)19-28-23-46-37(41(43,44)45)22-35(28)56-31-8-13-51(14-9-31)26(3)38-33(42)21-36-40(49-38)54-17-16-52-36/h4-5,18,20-23,25-26,30-31H,6-17,19H2,1-3H3
• InChIKey: SYOFPPBOGNLFPU-UHFFFAOYSA-N
• XLogP: 7.24
• TPSA: 104.19 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	778.85
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-[[5-[[4-[1-[1-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxy-6-methyl-2-pyridinyl]methyl]-2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The IUPAC name of 6-[1-[4-[[5-[[4-[1-[1-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxy-6-methyl-2-pyridinyl]methyl]-2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146287231) is 6-[1-[4-[[5-[[4-[1-[1-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxy-6-methyl-2-pyridinyl]methyl]-2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

What is the SMILES notation for 6-[1-[4-[[5-[[4-[1-[1-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxy-6-methyl-2-pyridinyl]methyl]-2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The canonical SMILES for 6-[1-[4-[[5-[[4-[1-[1-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxy-6-methyl-2-pyridinyl]methyl]-2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1cc(OC2CCN(C(C)c3ccc4c(n3)OCC4)CC2)cc(Cc2cnc(C(F)(F)F)cc2OC2CCN(C(C)c3nc4c(cc3F)OCCO4)CC2)n1.

What is the InChIKey of 6-[1-[4-[[5-[[4-[1-[1-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxy-6-methyl-2-pyridinyl]methyl]-2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The InChIKey is SYOFPPBOGNLFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46F4N6O5/c1-24-18-32(55-30-6-11-50(12-7-30)25(2)34-5-4-27-10-15-53-39(27)48-34)20-29(47-24)19-28-23-46-37(41(43,44)45)22-35(28)56-31-8-13-51(14-9-31)26(3)38-33(42)21-36-40(49-38)54-17-16-52-36/h4-5,18,20-23,25-26,30-31H,6-17,19H2,1-3H3.

What are the key properties of 6-[1-[4-[[5-[[4-[1-[1-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxy-6-methyl-2-pyridinyl]methyl]-2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

6-[1-[4-[[5-[[4-[1-[1-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxy-6-methyl-2-pyridinyl]methyl]-2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 778.85 g/mol, XLogP of 7.24, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[4-[[5-[[4-[1-[1-(2,3-dihydrofuro[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxy-6-methyl-2-pyridinyl]methyl]-2-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146287231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).