N-(4,4-difluoro-3-methylidenepentyl)-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]thiazolo[5,4-b]pyridin-4-yl]acetamide

C33H38F2N6O6S — CID 177160103

About N-(4,4-difluoro-3-methylidenepentyl)-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]thiazolo[5,4-b]pyridin-4-yl]acetamide

N-(4,4-difluoro-3-methylidenepentyl)-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]thiazolo[5,4-b]pyridin-4-yl]acetamide (PubChem CID 177160103) has the molecular formula C33H38F2N6O6S and a molecular weight of 684.77 g/mol. Its IUPAC name is N-(4,4-difluoro-3-methylidenepentyl)-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]thiazolo[5,4-b]pyridin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(4,4-difluoro-3-methylidenepentyl)-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]thiazolo[5,4-b]pyridin-4-yl]acetamide
• PubChem CID: 177160103
• Molecular Formula: C33H38F2N6O6S
• Molecular Weight: 684.77 g/mol
• Exact Mass: 684.25
• IUPAC Name: N-(4,4-difluoro-3-methylidenepentyl)-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]thiazolo[5,4-b]pyridin-4-yl]acetamide
• SMILES: C=C(CCNC(=O)Cn1c(CC)c(N2CCN(C(=O)c3ncc4c(c3O)CCO4)CC2)c(=O)c2nc(C3=CCOCC3)sc21)C(C)(F)F
• InChI: InChI=1S/C33H38F2N6O6S/c1-4-22-27(39-10-12-40(13-11-39)31(45)25-28(43)21-8-16-47-23(21)17-37-25)29(44)26-32(48-30(38-26)20-6-14-46-15-7-20)41(22)18-24(42)36-9-5-19(2)33(3,34)35/h6,17,43H,2,4-5,7-16,18H2,1,3H3,(H,36,42)
• InChIKey: BXWPLMQDSNFUKA-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 139.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.77
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluoro-3-methylidenepentyl)-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]thiazolo[5,4-b]pyridin-4-yl]acetamide?

The IUPAC name of N-(4,4-difluoro-3-methylidenepentyl)-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]thiazolo[5,4-b]pyridin-4-yl]acetamide (CID 177160103) is N-(4,4-difluoro-3-methylidenepentyl)-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]thiazolo[5,4-b]pyridin-4-yl]acetamide.

What is the SMILES notation for N-(4,4-difluoro-3-methylidenepentyl)-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]thiazolo[5,4-b]pyridin-4-yl]acetamide?

The canonical SMILES for N-(4,4-difluoro-3-methylidenepentyl)-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]thiazolo[5,4-b]pyridin-4-yl]acetamide is C=C(CCNC(=O)Cn1c(CC)c(N2CCN(C(=O)c3ncc4c(c3O)CCO4)CC2)c(=O)c2nc(C3=CCOCC3)sc21)C(C)(F)F.

What is the InChIKey of N-(4,4-difluoro-3-methylidenepentyl)-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]thiazolo[5,4-b]pyridin-4-yl]acetamide?

The InChIKey is BXWPLMQDSNFUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38F2N6O6S/c1-4-22-27(39-10-12-40(13-11-39)31(45)25-28(43)21-8-16-47-23(21)17-37-25)29(44)26-32(48-30(38-26)20-6-14-46-15-7-20)41(22)18-24(42)36-9-5-19(2)33(3,34)35/h6,17,43H,2,4-5,7-16,18H2,1,3H3,(H,36,42).

What are the key properties of N-(4,4-difluoro-3-methylidenepentyl)-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]thiazolo[5,4-b]pyridin-4-yl]acetamide?

N-(4,4-difluoro-3-methylidenepentyl)-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]thiazolo[5,4-b]pyridin-4-yl]acetamide has a molecular weight of 684.77 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,4-difluoro-3-methylidenepentyl)-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]thiazolo[5,4-b]pyridin-4-yl]acetamide is sourced from PubChem (CID 177160103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).