2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]oxazolo[4,5-b]pyridin-4-yl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide

C32H35FN6O7 — CID 177160051

About 2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]oxazolo[4,5-b]pyridin-4-yl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide

2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]oxazolo[4,5-b]pyridin-4-yl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide (PubChem CID 177160051) has the molecular formula C32H35FN6O7 and a molecular weight of 634.67 g/mol. Its IUPAC name is 2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]oxazolo[4,5-b]pyridin-4-yl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]oxazolo[4,5-b]pyridin-4-yl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
• PubChem CID: 177160051
• Molecular Formula: C32H35FN6O7
• Molecular Weight: 634.67 g/mol
• Exact Mass: 634.26
• IUPAC Name: 2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]oxazolo[4,5-b]pyridin-4-yl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
• SMILES: CCc1c(N2CCN(C(=O)c3ncc4c(c3O)CCO4)CC2)c(=O)c2oc(C3=CCOCC3)nc2n1CC(=O)NC12CC(F)(C1)C2
• InChI: InChI=1S/C32H35FN6O7/c1-2-20-24(37-6-8-38(9-7-37)30(43)23-25(41)19-5-12-45-21(19)13-34-23)26(42)27-28(35-29(46-27)18-3-10-44-11-4-18)39(20)14-22(40)36-32-15-31(33,16-32)17-32/h3,13,41H,2,4-12,14-17H2,1H3,(H,36,40)
• InChIKey: JHXKIBVGIUVGDR-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 152.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.67
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]oxazolo[4,5-b]pyridin-4-yl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide?

The IUPAC name of 2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]oxazolo[4,5-b]pyridin-4-yl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide (CID 177160051) is 2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]oxazolo[4,5-b]pyridin-4-yl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide.

What is the SMILES notation for 2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]oxazolo[4,5-b]pyridin-4-yl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide?

The canonical SMILES for 2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]oxazolo[4,5-b]pyridin-4-yl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide is CCc1c(N2CCN(C(=O)c3ncc4c(c3O)CCO4)CC2)c(=O)c2oc(C3=CCOCC3)nc2n1CC(=O)NC12CC(F)(C1)C2.

What is the InChIKey of 2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]oxazolo[4,5-b]pyridin-4-yl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide?

The InChIKey is JHXKIBVGIUVGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN6O7/c1-2-20-24(37-6-8-38(9-7-37)30(43)23-25(41)19-5-12-45-21(19)13-34-23)26(42)27-28(35-29(46-27)18-3-10-44-11-4-18)39(20)14-22(40)36-32-15-31(33,16-32)17-32/h3,13,41H,2,4-12,14-17H2,1H3,(H,36,40).

What are the key properties of 2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]oxazolo[4,5-b]pyridin-4-yl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide?

2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]oxazolo[4,5-b]pyridin-4-yl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide has a molecular weight of 634.67 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-7-oxo-[1,3]oxazolo[4,5-b]pyridin-4-yl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide is sourced from PubChem (CID 177160051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).