2,6-difluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

C24H16F3N7O — CID 118538883

About 2,6-difluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

2,6-difluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118538883) has the molecular formula C24H16F3N7O and a molecular weight of 475.43 g/mol. Its IUPAC name is 2,6-difluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• PubChem CID: 118538883
• Molecular Formula: C24H16F3N7O
• Molecular Weight: 475.43 g/mol
• Exact Mass: 475.14
• IUPAC Name: 2,6-difluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
• SMILES: O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCC4)ccc2n1)c1cc(F)nc(F)c1
• InChI: InChI=1S/C24H16F3N7O/c25-15-5-3-13(4-6-15)22-23(33-9-1-2-20(33)31-22)16-7-8-21-29-19(12-34(21)32-16)30-24(35)14-10-17(26)28-18(27)11-14/h3-8,10-12H,1-2,9H2,(H,30,35)
• InChIKey: CIRPYCANFTVMBV-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.43
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The IUPAC name of 2,6-difluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118538883) is 2,6-difluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2,6-difluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The canonical SMILES for 2,6-difluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc4n3CCC4)ccc2n1)c1cc(F)nc(F)c1.

What is the InChIKey of 2,6-difluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

The InChIKey is CIRPYCANFTVMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N7O/c25-15-5-3-13(4-6-15)22-23(33-9-1-2-20(33)31-22)16-7-8-21-29-19(12-34(21)32-16)30-24(35)14-10-17(26)28-18(27)11-14/h3-8,10-12H,1-2,9H2,(H,30,35).

What are the key properties of 2,6-difluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?

2,6-difluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 475.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118538883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).