[(Z)-[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]amino] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate;6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine;oxolane

C102H113F8N25O9 — CID 172972230

About [(Z)-[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]amino] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate;6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine;oxolane

[(Z)-[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]amino] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate;6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine;oxolane (PubChem CID 172972230) has the molecular formula C102H113F8N25O9 and a molecular weight of 1985.18 g/mol. Its IUPAC name is [(Z)-[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]amino] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate;6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine;oxolane.

Molecular Properties

• Compound Name: [(Z)-[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]amino] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate;6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine;oxolane
• PubChem CID: 172972230
• Molecular Formula: C102H113F8N25O9
• Molecular Weight: 1985.18 g/mol
• Exact Mass: 1983.90
• IUPAC Name: [(Z)-[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]amino] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate;6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine;oxolane
• SMILES: C1CCOC1.CC/N=C/C=N/CCCN(C)C.CCN/C(=N\CCCN(C)C)O/N=C(\N)c1cccc(Cn2nc(-c3cc(F)cc(F)c3)ccc2=O)c1.CCNc1nc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)no1.CN(C)CCCNc1nc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)no1.N/C(=N\O)c1cccc(Cn2nc(-c3cc(F)cc(F)c3)ccc2=O)c1
• InChI: InChI=1S/C26H31F2N7O2.C24H24F2N6O2.C21H17F2N5O2.C18H14F2N4O2.C9H19N3.C4H8O/c1-4-30-26(31-11-6-12-34(2)3)37-33-25(29)19-8-5-7-18(13-19)17-35-24(36)10-9-23(32-35)20-14-21(27)16-22(28)15-20;1-31(2)10-4-9-27-24-28-23(30-34-24)17-6-3-5-16(11-17)15-32-22(33)8-7-21(29-32)18-12-19(25)14-20(26)13-18;1-2-24-21-25-20(27-30-21)14-5-3-4-13(8-14)12-28-19(29)7-6-18(26-28)15-9-16(22)11-17(23)10-15;19-14-7-13(8-15(20)9-14)16-4-5-17(25)24(22-16)10-11-2-1-3-12(6-11)18(21)23-26;1-4-10-7-8-11-6-5-9-12(2)3;1-2-4-5-3-1/h5,7-10,13-16H,4,6,11-12,17H2,1-3H3,(H2,29,33)(H,30,31);3,5-8,11-14H,4,9-10,15H2,1-2H3,(H,27,28,30);3-11H,2,12H2,1H3,(H,24,25,27);1-9,26H,10H2,(H2,21,23);7-8H,4-6,9H2,1-3H3;1-4H2/b;;;;10-7+,11-8+
• InChIKey: FGGJJXOZMZZNDN-JJAQCXGMSA-N
• XLogP: 14.39
• TPSA: 415.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1985.18
LogP ≤ 5	14.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]amino] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate;6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine;oxolane?

The IUPAC name of [(Z)-[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]amino] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate;6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine;oxolane (CID 172972230) is [(Z)-[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]amino] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate;6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine;oxolane.

What is the SMILES notation for [(Z)-[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]amino] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate;6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine;oxolane?

The canonical SMILES for [(Z)-[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]amino] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate;6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine;oxolane is C1CCOC1.CC/N=C/C=N/CCCN(C)C.CCN/C(=N\CCCN(C)C)O/N=C(\N)c1cccc(Cn2nc(-c3cc(F)cc(F)c3)ccc2=O)c1.CCNc1nc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)no1.CN(C)CCCNc1nc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)no1.N/C(=N\O)c1cccc(Cn2nc(-c3cc(F)cc(F)c3)ccc2=O)c1.

What is the InChIKey of [(Z)-[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]amino] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate;6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine;oxolane?

The InChIKey is FGGJJXOZMZZNDN-JJAQCXGMSA-N. The full InChI is InChI=1S/C26H31F2N7O2.C24H24F2N6O2.C21H17F2N5O2.C18H14F2N4O2.C9H19N3.C4H8O/c1-4-30-26(31-11-6-12-34(2)3)37-33-25(29)19-8-5-7-18(13-19)17-35-24(36)10-9-23(32-35)20-14-21(27)16-22(28)15-20;1-31(2)10-4-9-27-24-28-23(30-34-24)17-6-3-5-16(11-17)15-32-22(33)8-7-21(29-32)18-12-19(25)14-20(26)13-18;1-2-24-21-25-20(27-30-21)14-5-3-4-13(8-14)12-28-19(29)7-6-18(26-28)15-9-16(22)11-17(23)10-15;19-14-7-13(8-15(20)9-14)16-4-5-17(25)24(22-16)10-11-2-1-3-12(6-11)18(21)23-26;1-4-10-7-8-11-6-5-9-12(2)3;1-2-4-5-3-1/h5,7-10,13-16H,4,6,11-12,17H2,1-3H3,(H2,29,33)(H,30,31);3,5-8,11-14H,4,9-10,15H2,1-2H3,(H,27,28,30);3-11H,2,12H2,1H3,(H,24,25,27);1-9,26H,10H2,(H2,21,23);7-8H,4-6,9H2,1-3H3;1-4H2/b;;;;10-7+,11-8+;.

What are the key properties of [(Z)-[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]amino] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate;6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine;oxolane?

[(Z)-[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]amino] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate;6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine;oxolane has a molecular weight of 1985.18 g/mol, XLogP of 14.39, 35 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-[amino-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]methylidene]amino] N'-[3-(dimethylamino)propyl]-N-ethylcarbamimidate;6-(3,5-difluorophenyl)-2-[[3-[5-[3-(dimethylamino)propylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;6-(3,5-difluorophenyl)-2-[[3-[5-(ethylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one;3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide;3-(2-ethyliminoethylideneamino)-N,N-dimethylpropan-1-amine;oxolane is sourced from PubChem (CID 172972230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).