1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-c]pyridazine;1-[(2-fluorophenyl)methyl]pyrazolo[3,4-c]pyridazine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-c]pyridazine-3-carboxamide;5-iodo-7H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[3,4-c]pyridazin-5-amine

C50H36F3I2N21O — CID 159470349

About 1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-c]pyridazine;1-[(2-fluorophenyl)methyl]pyrazolo[3,4-c]pyridazine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-c]pyridazine-3-carboxamide;5-iodo-7H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[3,4-c]pyridazin-5-amine

1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-c]pyridazine;1-[(2-fluorophenyl)methyl]pyrazolo[3,4-c]pyridazine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-c]pyridazine-3-carboxamide;5-iodo-7H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[3,4-c]pyridazin-5-amine (PubChem CID 159470349) has the molecular formula C50H36F3I2N21O and a molecular weight of 1257.79 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-c]pyridazine;1-[(2-fluorophenyl)methyl]pyrazolo[3,4-c]pyridazine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-c]pyridazine-3-carboxamide;5-iodo-7H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[3,4-c]pyridazin-5-amine.

Molecular Properties

• Compound Name: 1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-c]pyridazine;1-[(2-fluorophenyl)methyl]pyrazolo[3,4-c]pyridazine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-c]pyridazine-3-carboxamide;5-iodo-7H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[3,4-c]pyridazin-5-amine
• PubChem CID: 159470349
• Molecular Formula: C50H36F3I2N21O
• Molecular Weight: 1257.79 g/mol
• Exact Mass: 1257.15
• IUPAC Name: 1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-c]pyridazine;1-[(2-fluorophenyl)methyl]pyrazolo[3,4-c]pyridazine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-c]pyridazine-3-carboxamide;5-iodo-7H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[3,4-c]pyridazin-5-amine
• SMILES: Fc1ccccc1Cn1nc(I)c2ccnnc21.IC1=NCc2nnccc21.N#Cc1nn(Cc2ccccc2F)c2nnccc12.NC(=O)c1nn(Cc2ccccc2F)c2nnccc12.NC1=NCc2nnccc21
• InChI: InChI=1S/C13H10FN5O.C13H8FN5.C12H8FIN4.C6H4IN3.C6H6N4/c14-10-4-2-1-3-8(10)7-19-13-9(5-6-16-17-13)11(18-19)12(15)20;14-11-4-2-1-3-9(11)8-19-13-10(5-6-16-17-13)12(7-15)18-19;13-10-4-2-1-3-8(10)7-18-12-9(11(14)17-18)5-6-15-16-12;2*7-6-4-1-2-9-10-5(4)3-8-6/h1-6H,7H2,(H2,15,20);1-6H,8H2;1-6H,7H2;1-2H,3H2;1-2H,3H2,(H2,7,8)
• InChIKey: LVSKKNWFZRVSMC-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 299.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1257.79
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-c]pyridazine;1-[(2-fluorophenyl)methyl]pyrazolo[3,4-c]pyridazine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-c]pyridazine-3-carboxamide;5-iodo-7H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[3,4-c]pyridazin-5-amine?

The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-c]pyridazine;1-[(2-fluorophenyl)methyl]pyrazolo[3,4-c]pyridazine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-c]pyridazine-3-carboxamide;5-iodo-7H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[3,4-c]pyridazin-5-amine (CID 159470349) is 1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-c]pyridazine;1-[(2-fluorophenyl)methyl]pyrazolo[3,4-c]pyridazine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-c]pyridazine-3-carboxamide;5-iodo-7H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[3,4-c]pyridazin-5-amine.

What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-c]pyridazine;1-[(2-fluorophenyl)methyl]pyrazolo[3,4-c]pyridazine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-c]pyridazine-3-carboxamide;5-iodo-7H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[3,4-c]pyridazin-5-amine?

The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-c]pyridazine;1-[(2-fluorophenyl)methyl]pyrazolo[3,4-c]pyridazine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-c]pyridazine-3-carboxamide;5-iodo-7H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[3,4-c]pyridazin-5-amine is Fc1ccccc1Cn1nc(I)c2ccnnc21.IC1=NCc2nnccc21.N#Cc1nn(Cc2ccccc2F)c2nnccc12.NC(=O)c1nn(Cc2ccccc2F)c2nnccc12.NC1=NCc2nnccc21.

What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-c]pyridazine;1-[(2-fluorophenyl)methyl]pyrazolo[3,4-c]pyridazine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-c]pyridazine-3-carboxamide;5-iodo-7H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[3,4-c]pyridazin-5-amine?

The InChIKey is LVSKKNWFZRVSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O.C13H8FN5.C12H8FIN4.C6H4IN3.C6H6N4/c14-10-4-2-1-3-8(10)7-19-13-9(5-6-16-17-13)11(18-19)12(15)20;14-11-4-2-1-3-9(11)8-19-13-10(5-6-16-17-13)12(7-15)18-19;13-10-4-2-1-3-8(10)7-18-12-9(11(14)17-18)5-6-15-16-12;2*7-6-4-1-2-9-10-5(4)3-8-6/h1-6H,7H2,(H2,15,20);1-6H,8H2;1-6H,7H2;1-2H,3H2;1-2H,3H2,(H2,7,8).

What are the key properties of 1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-c]pyridazine;1-[(2-fluorophenyl)methyl]pyrazolo[3,4-c]pyridazine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-c]pyridazine-3-carboxamide;5-iodo-7H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[3,4-c]pyridazin-5-amine?

1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-c]pyridazine;1-[(2-fluorophenyl)methyl]pyrazolo[3,4-c]pyridazine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-c]pyridazine-3-carboxamide;5-iodo-7H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[3,4-c]pyridazin-5-amine has a molecular weight of 1257.79 g/mol, XLogP of 6.48, 7 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-fluorophenyl)methyl]-3-iodopyrazolo[5,4-c]pyridazine;1-[(2-fluorophenyl)methyl]pyrazolo[3,4-c]pyridazine-3-carbonitrile;1-[(2-fluorophenyl)methyl]pyrazolo[5,4-c]pyridazine-3-carboxamide;5-iodo-7H-pyrrolo[3,4-c]pyridazine;7H-pyrrolo[3,4-c]pyridazin-5-amine is sourced from PubChem (CID 159470349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).