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]-N-[2-[1-(trifluoromethoxy)cyclobutyl]ethyl]acetamide

C34H39F3N6O7S — CID 177160093

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]thiazolo[5,4-b]pyridin-4-yl]-N-[2-[1-(trifluoromethoxy)cyclobutyl]ethyl]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]thiazolo[5,4-b]pyridin-4-yl]-N-[2-[1-(trifluoromethoxy)cyclobutyl]ethyl]acetamide (PubChem CID 177160093) has the molecular formula C34H39F3N6O7S and a molecular weight of 732.78 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]thiazolo[5,4-b]pyridin-4-yl]-N-[2-[1-(trifluoromethoxy)cyclobutyl]ethyl]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]thiazolo[5,4-b]pyridin-4-yl]-N-[2-[1-(trifluoromethoxy)cyclobutyl]ethyl]acetamide
• PubChem CID: 177160093
• Molecular Formula: C34H39F3N6O7S
• Molecular Weight: 732.78 g/mol
• Exact Mass: 732.26
• 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]thiazolo[5,4-b]pyridin-4-yl]-N-[2-[1-(trifluoromethoxy)cyclobutyl]ethyl]acetamide
• SMILES: CCc1c(N2CCN(C(=O)c3ncc4c(c3O)CCO4)CC2)c(=O)c2nc(C3=CCOCC3)sc2n1CC(=O)NCCC1(OC(F)(F)F)CCC1
• InChI: InChI=1S/C34H39F3N6O7S/c1-2-22-27(41-11-13-42(14-12-41)31(47)25-28(45)21-6-17-49-23(21)18-39-25)29(46)26-32(51-30(40-26)20-4-15-48-16-5-20)43(22)19-24(44)38-10-9-33(7-3-8-33)50-34(35,36)37/h4,18,45H,2-3,5-17,19H2,1H3,(H,38,44)
• InChIKey: KVNAPANRYFSCDJ-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 148.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.78
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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]thiazolo[5,4-b]pyridin-4-yl]-N-[2-[1-(trifluoromethoxy)cyclobutyl]ethyl]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]thiazolo[5,4-b]pyridin-4-yl]-N-[2-[1-(trifluoromethoxy)cyclobutyl]ethyl]acetamide (CID 177160093) 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]thiazolo[5,4-b]pyridin-4-yl]-N-[2-[1-(trifluoromethoxy)cyclobutyl]ethyl]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]thiazolo[5,4-b]pyridin-4-yl]-N-[2-[1-(trifluoromethoxy)cyclobutyl]ethyl]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]thiazolo[5,4-b]pyridin-4-yl]-N-[2-[1-(trifluoromethoxy)cyclobutyl]ethyl]acetamide is CCc1c(N2CCN(C(=O)c3ncc4c(c3O)CCO4)CC2)c(=O)c2nc(C3=CCOCC3)sc2n1CC(=O)NCCC1(OC(F)(F)F)CCC1.

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]thiazolo[5,4-b]pyridin-4-yl]-N-[2-[1-(trifluoromethoxy)cyclobutyl]ethyl]acetamide?

The InChIKey is KVNAPANRYFSCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39F3N6O7S/c1-2-22-27(41-11-13-42(14-12-41)31(47)25-28(45)21-6-17-49-23(21)18-39-25)29(46)26-32(51-30(40-26)20-4-15-48-16-5-20)43(22)19-24(44)38-10-9-33(7-3-8-33)50-34(35,36)37/h4,18,45H,2-3,5-17,19H2,1H3,(H,38,44).

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]thiazolo[5,4-b]pyridin-4-yl]-N-[2-[1-(trifluoromethoxy)cyclobutyl]ethyl]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]thiazolo[5,4-b]pyridin-4-yl]-N-[2-[1-(trifluoromethoxy)cyclobutyl]ethyl]acetamide has a molecular weight of 732.78 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 12 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]thiazolo[5,4-b]pyridin-4-yl]-N-[2-[1-(trifluoromethoxy)cyclobutyl]ethyl]acetamide is sourced from PubChem (CID 177160093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).