2-[3-amino-2-(3,6-dihydro-2H-pyran-4-yldiazenyl)-6-ethyl-5-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-4-oxo-1-pyridinyl]-N-propylacetamide;3,3-difluorobut-1-ene

C33H44F2N8O6 — CID 177160169

About 2-[3-amino-2-(3,6-dihydro-2H-pyran-4-yldiazenyl)-6-ethyl-5-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-4-oxo-1-pyridinyl]-N-propylacetamide;3,3-difluorobut-1-ene

2-[3-amino-2-(3,6-dihydro-2H-pyran-4-yldiazenyl)-6-ethyl-5-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-4-oxo-1-pyridinyl]-N-propylacetamide;3,3-difluorobut-1-ene (PubChem CID 177160169) has the molecular formula C33H44F2N8O6 and a molecular weight of 686.76 g/mol. Its IUPAC name is 2-[3-amino-2-(3,6-dihydro-2H-pyran-4-yldiazenyl)-6-ethyl-5-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-4-oxo-1-pyridinyl]-N-propylacetamide;3,3-difluorobut-1-ene.

Molecular Properties

• Compound Name: 2-[3-amino-2-(3,6-dihydro-2H-pyran-4-yldiazenyl)-6-ethyl-5-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-4-oxo-1-pyridinyl]-N-propylacetamide;3,3-difluorobut-1-ene
• PubChem CID: 177160169
• Molecular Formula: C33H44F2N8O6
• Molecular Weight: 686.76 g/mol
• Exact Mass: 686.34
• IUPAC Name: 2-[3-amino-2-(3,6-dihydro-2H-pyran-4-yldiazenyl)-6-ethyl-5-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-4-oxo-1-pyridinyl]-N-propylacetamide;3,3-difluorobut-1-ene
• SMILES: C=CC(C)(F)F.CCCNC(=O)Cn1c(CC)c(N2CCN(C(=O)c3ncc4c(c3O)CCO4)CC2)c(=O)c(N)c1/N=N/C1=CCOCC1
• InChI: InChI=1S/C29H38N8O6.C4H6F2/c1-3-8-31-22(38)17-37-20(4-2)25(27(40)23(30)28(37)34-33-18-5-13-42-14-6-18)35-9-11-36(12-10-35)29(41)24-26(39)19-7-15-43-21(19)16-32-24;1-3-4(2,5)6/h5,16,39H,3-4,6-15,17,30H2,1-2H3,(H,31,38);3H,1H2,2H3/b34-33+
• InChIKey: RBMKQBUMESPXAJ-GGTLNOMSSA-N
• XLogP: 3.73
• TPSA: 176.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.76
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-(3,6-dihydro-2H-pyran-4-yldiazenyl)-6-ethyl-5-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-4-oxo-1-pyridinyl]-N-propylacetamide;3,3-difluorobut-1-ene?

The IUPAC name of 2-[3-amino-2-(3,6-dihydro-2H-pyran-4-yldiazenyl)-6-ethyl-5-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-4-oxo-1-pyridinyl]-N-propylacetamide;3,3-difluorobut-1-ene (CID 177160169) is 2-[3-amino-2-(3,6-dihydro-2H-pyran-4-yldiazenyl)-6-ethyl-5-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-4-oxo-1-pyridinyl]-N-propylacetamide;3,3-difluorobut-1-ene.

What is the SMILES notation for 2-[3-amino-2-(3,6-dihydro-2H-pyran-4-yldiazenyl)-6-ethyl-5-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-4-oxo-1-pyridinyl]-N-propylacetamide;3,3-difluorobut-1-ene?

The canonical SMILES for 2-[3-amino-2-(3,6-dihydro-2H-pyran-4-yldiazenyl)-6-ethyl-5-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-4-oxo-1-pyridinyl]-N-propylacetamide;3,3-difluorobut-1-ene is C=CC(C)(F)F.CCCNC(=O)Cn1c(CC)c(N2CCN(C(=O)c3ncc4c(c3O)CCO4)CC2)c(=O)c(N)c1/N=N/C1=CCOCC1.

What is the InChIKey of 2-[3-amino-2-(3,6-dihydro-2H-pyran-4-yldiazenyl)-6-ethyl-5-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-4-oxo-1-pyridinyl]-N-propylacetamide;3,3-difluorobut-1-ene?

The InChIKey is RBMKQBUMESPXAJ-GGTLNOMSSA-N. The full InChI is InChI=1S/C29H38N8O6.C4H6F2/c1-3-8-31-22(38)17-37-20(4-2)25(27(40)23(30)28(37)34-33-18-5-13-42-14-6-18)35-9-11-36(12-10-35)29(41)24-26(39)19-7-15-43-21(19)16-32-24;1-3-4(2,5)6/h5,16,39H,3-4,6-15,17,30H2,1-2H3,(H,31,38);3H,1H2,2H3/b34-33+;.

What are the key properties of 2-[3-amino-2-(3,6-dihydro-2H-pyran-4-yldiazenyl)-6-ethyl-5-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-4-oxo-1-pyridinyl]-N-propylacetamide;3,3-difluorobut-1-ene?

2-[3-amino-2-(3,6-dihydro-2H-pyran-4-yldiazenyl)-6-ethyl-5-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-4-oxo-1-pyridinyl]-N-propylacetamide;3,3-difluorobut-1-ene has a molecular weight of 686.76 g/mol, XLogP of 3.73, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-amino-2-(3,6-dihydro-2H-pyran-4-yldiazenyl)-6-ethyl-5-[4-(4-hydroxy-2,3-dihydrofuro[2,3-c]pyridine-5-carbonyl)piperazin-1-yl]-4-oxo-1-pyridinyl]-N-propylacetamide;3,3-difluorobut-1-ene is sourced from PubChem (CID 177160169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).