1-amino-3-(4-fluorophenyl)propan-2-one;2-(4-fluorophenyl)acetic acid;1-(4-fluorophenyl)butan-2-one;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid

C88H75F6N19O14 — CID 158974305

About 1-amino-3-(4-fluorophenyl)propan-2-one;2-(4-fluorophenyl)acetic acid;1-(4-fluorophenyl)butan-2-one;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid

1-amino-3-(4-fluorophenyl)propan-2-one;2-(4-fluorophenyl)acetic acid;1-(4-fluorophenyl)butan-2-one;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid (PubChem CID 158974305) has the molecular formula C88H75F6N19O14 and a molecular weight of 1736.67 g/mol. Its IUPAC name is 1-amino-3-(4-fluorophenyl)propan-2-one;2-(4-fluorophenyl)acetic acid;1-(4-fluorophenyl)butan-2-one;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-amino-3-(4-fluorophenyl)propan-2-one;2-(4-fluorophenyl)acetic acid;1-(4-fluorophenyl)butan-2-one;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid
• PubChem CID: 158974305
• Molecular Formula: C88H75F6N19O14
• Molecular Weight: 1736.67 g/mol
• Exact Mass: 1735.56
• IUPAC Name: 1-amino-3-(4-fluorophenyl)propan-2-one;2-(4-fluorophenyl)acetic acid;1-(4-fluorophenyl)butan-2-one;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid
• SMILES: CCC(=O)Cc1ccc(F)cc1.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=NO)c2ncccc21.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=O)c2ncccc21.Cn1nc(C(=O)NCC(=O)Cc2ccc(F)cc2)c(=O)c2ncccc21.Cn1nc(C(=O)O)c(=O)c2ncccc21.NCC(=O)Cc1ccc(F)cc1.O=C(O)Cc1ccc(F)cc1
• InChI: InChI=1S/C18H15FN4O3.C17H13FN6O2.C17H12FN5O2.C10H11FO.C9H10FNO.C9H7N3O3.C8H7FO2/c1-23-14-3-2-8-20-15(14)17(25)16(22-23)18(26)21-10-13(24)9-11-4-6-12(19)7-5-11;1-24-12-3-2-8-19-14(12)15(23-25)16(22-24)17-21-20-13(26-17)9-10-4-6-11(18)7-5-10;1-23-12-3-2-8-19-14(12)16(24)15(22-23)17-21-20-13(25-17)9-10-4-6-11(18)7-5-10;1-2-10(12)7-8-3-5-9(11)6-4-8;10-8-3-1-7(2-4-8)5-9(12)6-11;1-12-5-3-2-4-10-6(5)8(13)7(11-12)9(14)15;9-7-3-1-6(2-4-7)5-8(10)11/h2-8H,9-10H2,1H3,(H,21,26);2-8,25H,9H2,1H3;2-8H,9H2,1H3;3-6H,2,7H2,1H3;1-4H,5-6,11H2;2-4H,1H3,(H,14,15);1-4H,5H2,(H,10,11)
• InChIKey: JOERBGDVGSLTNQ-UHFFFAOYSA-N
• XLogP: 9.88
• TPSA: 465.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1736.67
LogP ≤ 5	9.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'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 1-amino-3-(4-fluorophenyl)propan-2-one;2-(4-fluorophenyl)acetic acid;1-(4-fluorophenyl)butan-2-one;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid?

The IUPAC name of 1-amino-3-(4-fluorophenyl)propan-2-one;2-(4-fluorophenyl)acetic acid;1-(4-fluorophenyl)butan-2-one;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid (CID 158974305) is 1-amino-3-(4-fluorophenyl)propan-2-one;2-(4-fluorophenyl)acetic acid;1-(4-fluorophenyl)butan-2-one;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid.

What is the SMILES notation for 1-amino-3-(4-fluorophenyl)propan-2-one;2-(4-fluorophenyl)acetic acid;1-(4-fluorophenyl)butan-2-one;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid?

The canonical SMILES for 1-amino-3-(4-fluorophenyl)propan-2-one;2-(4-fluorophenyl)acetic acid;1-(4-fluorophenyl)butan-2-one;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid is CCC(=O)Cc1ccc(F)cc1.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=NO)c2ncccc21.Cn1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(=O)c2ncccc21.Cn1nc(C(=O)NCC(=O)Cc2ccc(F)cc2)c(=O)c2ncccc21.Cn1nc(C(=O)O)c(=O)c2ncccc21.NCC(=O)Cc1ccc(F)cc1.O=C(O)Cc1ccc(F)cc1.

What is the InChIKey of 1-amino-3-(4-fluorophenyl)propan-2-one;2-(4-fluorophenyl)acetic acid;1-(4-fluorophenyl)butan-2-one;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid?

The InChIKey is JOERBGDVGSLTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3.C17H13FN6O2.C17H12FN5O2.C10H11FO.C9H10FNO.C9H7N3O3.C8H7FO2/c1-23-14-3-2-8-20-15(14)17(25)16(22-23)18(26)21-10-13(24)9-11-4-6-12(19)7-5-11;1-24-12-3-2-8-19-14(12)15(23-25)16(22-24)17-21-20-13(26-17)9-10-4-6-11(18)7-5-10;1-23-12-3-2-8-19-14(12)16(24)15(22-23)17-21-20-13(25-17)9-10-4-6-11(18)7-5-10;1-2-10(12)7-8-3-5-9(11)6-4-8;10-8-3-1-7(2-4-8)5-9(12)6-11;1-12-5-3-2-4-10-6(5)8(13)7(11-12)9(14)15;9-7-3-1-6(2-4-7)5-8(10)11/h2-8H,9-10H2,1H3,(H,21,26);2-8,25H,9H2,1H3;2-8H,9H2,1H3;3-6H,2,7H2,1H3;1-4H,5-6,11H2;2-4H,1H3,(H,14,15);1-4H,5H2,(H,10,11).

What are the key properties of 1-amino-3-(4-fluorophenyl)propan-2-one;2-(4-fluorophenyl)acetic acid;1-(4-fluorophenyl)butan-2-one;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid?

1-amino-3-(4-fluorophenyl)propan-2-one;2-(4-fluorophenyl)acetic acid;1-(4-fluorophenyl)butan-2-one;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid has a molecular weight of 1736.67 g/mol, XLogP of 9.88, 20 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-3-(4-fluorophenyl)propan-2-one;2-(4-fluorophenyl)acetic acid;1-(4-fluorophenyl)butan-2-one;3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-one;N-[3-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrido[3,2-c]pyridazin-4-ylidene]hydroxylamine;N-[3-(4-fluorophenyl)-2-oxopropyl]-1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxamide;1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylic acid is sourced from PubChem (CID 158974305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).