N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,4-dimethyl-5-pyridin-3-ylbenzamide

C31H26FN7O — CID 118538663

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,4-dimethyl-5-pyridin-3-ylbenzamide (PubChem CID 118538663) has the molecular formula C31H26FN7O and a molecular weight of 531.60 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,4-dimethyl-5-pyridin-3-ylbenzamide.

Molecular Properties

• Compound Name: N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,4-dimethyl-5-pyridin-3-ylbenzamide
• PubChem CID: 118538663
• Molecular Formula: C31H26FN7O
• Molecular Weight: 531.60 g/mol
• Exact Mass: 531.22
• IUPAC Name: N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,4-dimethyl-5-pyridin-3-ylbenzamide
• SMILES: Cc1cc(C)c(-c2cccnc2)cc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C)n3C)ccc2n1
• InChI: InChI=1S/C31H26FN7O/c1-18-14-19(2)25(15-24(18)22-6-5-13-33-16-22)31(40)36-27-17-39-28(35-27)12-11-26(37-39)30-29(34-20(3)38(30)4)21-7-9-23(32)10-8-21/h5-17H,1-4H3,(H,36,40)
• InChIKey: FUQVYNBDVXCEPI-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 90.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.60
LogP ≤ 5	6.18
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]-2,4-dimethyl-5-pyridin-3-ylbenzamide?

The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,4-dimethyl-5-pyridin-3-ylbenzamide (CID 118538663) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,4-dimethyl-5-pyridin-3-ylbenzamide.

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

The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,4-dimethyl-5-pyridin-3-ylbenzamide is Cc1cc(C)c(-c2cccnc2)cc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C)n3C)ccc2n1.

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

The InChIKey is FUQVYNBDVXCEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN7O/c1-18-14-19(2)25(15-24(18)22-6-5-13-33-16-22)31(40)36-27-17-39-28(35-27)12-11-26(37-39)30-29(34-20(3)38(30)4)21-7-9-23(32)10-8-21/h5-17H,1-4H3,(H,36,40).

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,4-dimethyl-5-pyridin-3-ylbenzamide has a molecular weight of 531.60 g/mol, XLogP of 6.18, 5 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]-2,4-dimethyl-5-pyridin-3-ylbenzamide is sourced from PubChem (CID 118538663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).