8-[bis(3-fluorophenyl)methyl]-6-butyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;4-ethoxy-6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;[6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl]oxymethyl (2-methyl-4-nitrophenyl) carbonate;8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-4-hydroxy-6-(2-methylpropyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione

C106H104F5N13O17 — CID 158850686

About 8-[bis(3-fluorophenyl)methyl]-6-butyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;4-ethoxy-6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;[6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl]oxymethyl (2-methyl-4-nitrophenyl) carbonate;8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-4-hydroxy-6-(2-methylpropyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione

8-[bis(3-fluorophenyl)methyl]-6-butyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;4-ethoxy-6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;[6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl]oxymethyl (2-methyl-4-nitrophenyl) carbonate;8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-4-hydroxy-6-(2-methylpropyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (PubChem CID 158850686) has the molecular formula C106H104F5N13O17 and a molecular weight of 1927.06 g/mol. Its IUPAC name is 8-[bis(3-fluorophenyl)methyl]-6-butyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;4-ethoxy-6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;[6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl]oxymethyl (2-methyl-4-nitrophenyl) carbonate;8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-4-hydroxy-6-(2-methylpropyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.

Molecular Properties

• Compound Name: 8-[bis(3-fluorophenyl)methyl]-6-butyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;4-ethoxy-6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;[6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl]oxymethyl (2-methyl-4-nitrophenyl) carbonate;8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-4-hydroxy-6-(2-methylpropyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
• PubChem CID: 158850686
• Molecular Formula: C106H104F5N13O17
• Molecular Weight: 1927.06 g/mol
• Exact Mass: 1925.76
• IUPAC Name: 8-[bis(3-fluorophenyl)methyl]-6-butyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;4-ethoxy-6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;[6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl]oxymethyl (2-methyl-4-nitrophenyl) carbonate;8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-4-hydroxy-6-(2-methylpropyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
• SMILES: CCCCN1CC(C(c2cccc(F)c2)c2cccc(F)c2)n2ncc(=O)c(O)c2C1=O.CCN1CC(C(c2cccc(C)c2)c2cccc(F)c2)n2ncc(=O)c(OCOC(=O)Oc3ccc([N+](=O)[O-])cc3C)c2C1=O.CCOc1c2n(ncc1=O)C(C(c1cccc(C)c1)c1cccc(F)c1)CN(CC)C2=O.Cc1cccc(C(c2cccc(F)c2)C2CN(CC(C)C)C(=O)c3c(O)c(=O)cnn32)c1
• InChI: InChI=1S/C32H29FN4O8.2C25H26FN3O3.C24H23F2N3O3/c1-4-35-17-25(28(21-8-5-7-19(2)13-21)22-9-6-10-23(33)15-22)36-29(31(35)39)30(26(38)16-34-36)43-18-44-32(40)45-27-12-11-24(37(41)42)14-20(27)3;1-15(2)13-28-14-20(29-23(25(28)32)24(31)21(30)12-27-29)22(17-7-4-6-16(3)10-17)18-8-5-9-19(26)11-18;1-4-28-15-20(29-23(25(28)31)24(32-5-2)21(30)14-27-29)22(17-9-6-8-16(3)12-17)18-10-7-11-19(26)13-18;1-2-3-10-28-14-19(29-22(24(28)32)23(31)20(30)13-27-29)21(15-6-4-8-17(25)11-15)16-7-5-9-18(26)12-16/h5-16,25,28H,4,17-18H2,1-3H3;4-12,15,20,22,31H,13-14H2,1-3H3;6-14,20,22H,4-5,15H2,1-3H3;4-9,11-13,19,21,31H,2-3,10,14H2,1H3
• InChIKey: GBSFUZFLSPCBNL-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 358.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1927.06
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[bis(3-fluorophenyl)methyl]-6-butyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;4-ethoxy-6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;[6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl]oxymethyl (2-methyl-4-nitrophenyl) carbonate;8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-4-hydroxy-6-(2-methylpropyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?

The IUPAC name of 8-[bis(3-fluorophenyl)methyl]-6-butyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;4-ethoxy-6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;[6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl]oxymethyl (2-methyl-4-nitrophenyl) carbonate;8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-4-hydroxy-6-(2-methylpropyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (CID 158850686) is 8-[bis(3-fluorophenyl)methyl]-6-butyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;4-ethoxy-6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;[6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl]oxymethyl (2-methyl-4-nitrophenyl) carbonate;8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-4-hydroxy-6-(2-methylpropyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.

What is the SMILES notation for 8-[bis(3-fluorophenyl)methyl]-6-butyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;4-ethoxy-6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;[6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl]oxymethyl (2-methyl-4-nitrophenyl) carbonate;8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-4-hydroxy-6-(2-methylpropyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?

The canonical SMILES for 8-[bis(3-fluorophenyl)methyl]-6-butyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;4-ethoxy-6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;[6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl]oxymethyl (2-methyl-4-nitrophenyl) carbonate;8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-4-hydroxy-6-(2-methylpropyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is CCCCN1CC(C(c2cccc(F)c2)c2cccc(F)c2)n2ncc(=O)c(O)c2C1=O.CCN1CC(C(c2cccc(C)c2)c2cccc(F)c2)n2ncc(=O)c(OCOC(=O)Oc3ccc([N+](=O)[O-])cc3C)c2C1=O.CCOc1c2n(ncc1=O)C(C(c1cccc(C)c1)c1cccc(F)c1)CN(CC)C2=O.Cc1cccc(C(c2cccc(F)c2)C2CN(CC(C)C)C(=O)c3c(O)c(=O)cnn32)c1.

What is the InChIKey of 8-[bis(3-fluorophenyl)methyl]-6-butyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;4-ethoxy-6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;[6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl]oxymethyl (2-methyl-4-nitrophenyl) carbonate;8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-4-hydroxy-6-(2-methylpropyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?

The InChIKey is GBSFUZFLSPCBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN4O8.2C25H26FN3O3.C24H23F2N3O3/c1-4-35-17-25(28(21-8-5-7-19(2)13-21)22-9-6-10-23(33)15-22)36-29(31(35)39)30(26(38)16-34-36)43-18-44-32(40)45-27-12-11-24(37(41)42)14-20(27)3;1-15(2)13-28-14-20(29-23(25(28)32)24(31)21(30)12-27-29)22(17-7-4-6-16(3)10-17)18-8-5-9-19(26)11-18;1-4-28-15-20(29-23(25(28)31)24(32-5-2)21(30)14-27-29)22(17-9-6-8-16(3)12-17)18-10-7-11-19(26)13-18;1-2-3-10-28-14-19(29-22(24(28)32)23(31)20(30)13-27-29)21(15-6-4-8-17(25)11-15)16-7-5-9-18(26)12-16/h5-16,25,28H,4,17-18H2,1-3H3;4-12,15,20,22,31H,13-14H2,1-3H3;6-14,20,22H,4-5,15H2,1-3H3;4-9,11-13,19,21,31H,2-3,10,14H2,1H3.

What are the key properties of 8-[bis(3-fluorophenyl)methyl]-6-butyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;4-ethoxy-6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;[6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl]oxymethyl (2-methyl-4-nitrophenyl) carbonate;8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-4-hydroxy-6-(2-methylpropyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?

8-[bis(3-fluorophenyl)methyl]-6-butyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;4-ethoxy-6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;[6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl]oxymethyl (2-methyl-4-nitrophenyl) carbonate;8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-4-hydroxy-6-(2-methylpropyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione has a molecular weight of 1927.06 g/mol, XLogP of 16.98, 26 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[bis(3-fluorophenyl)methyl]-6-butyl-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;4-ethoxy-6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione;[6-ethyl-8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-3,5-dioxo-7,8-dihydropyrazino[1,2-b]pyridazin-4-yl]oxymethyl (2-methyl-4-nitrophenyl) carbonate;8-[(3-fluorophenyl)-(3-methylphenyl)methyl]-4-hydroxy-6-(2-methylpropyl)-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is sourced from PubChem (CID 158850686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).