N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide

C27H20FN7O — CID 118538840

About N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide (PubChem CID 118538840) has the molecular formula C27H20FN7O and a molecular weight of 477.50 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide.

Molecular Properties

• Compound Name: N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide
• PubChem CID: 118538840
• Molecular Formula: C27H20FN7O
• Molecular Weight: 477.50 g/mol
• Exact Mass: 477.17
• IUPAC Name: N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide
• SMILES: Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc5cnccc5c4)cn3n2)n1C
• InChI: InChI=1S/C27H20FN7O/c1-16-30-25(17-5-7-21(28)8-6-17)26(34(16)2)22-9-10-24-31-23(15-35(24)33-22)32-27(36)19-3-4-20-14-29-12-11-18(20)13-19/h3-15H,1-2H3,(H,32,36)
• InChIKey: ZMKKMWNCVZGKTI-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.50
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide?

The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide (CID 118538840) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide.

What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide?

The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc5cnccc5c4)cn3n2)n1C.

What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide?

The InChIKey is ZMKKMWNCVZGKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN7O/c1-16-30-25(17-5-7-21(28)8-6-17)26(34(16)2)22-9-10-24-31-23(15-35(24)33-22)32-27(36)19-3-4-20-14-29-12-11-18(20)13-19/h3-15H,1-2H3,(H,32,36).

What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide?

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide has a molecular weight of 477.50 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]isoquinoline-6-carboxamide is sourced from PubChem (CID 118538840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).