2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-3-yl-3-pyridinyl]amino]ethanol

C28H26FN7O — CID 44519531

About 2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-3-yl-3-pyridinyl]amino]ethanol

2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-3-yl-3-pyridinyl]amino]ethanol (PubChem CID 44519531) has the molecular formula C28H26FN7O and a molecular weight of 495.56 g/mol. Its IUPAC name is 2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-3-yl-3-pyridinyl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-3-yl-3-pyridinyl]amino]ethanol
• PubChem CID: 44519531
• Molecular Formula: C28H26FN7O
• Molecular Weight: 495.56 g/mol
• Exact Mass: 495.22
• IUPAC Name: 2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-3-yl-3-pyridinyl]amino]ethanol
• SMILES: OCCNc1ccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)nc1-c1cccnc1
• InChI: InChI=1S/C28H26FN7O/c29-21-6-1-4-19(16-21)24-7-3-14-35(24)27-11-10-26-32-18-25(36(26)34-27)22-8-9-23(31-13-15-37)28(33-22)20-5-2-12-30-17-20/h1-2,4-6,8-12,16-18,24,31,37H,3,7,13-15H2
• InChIKey: MYYBCUUEXMCSMD-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 91.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.56
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-3-yl-3-pyridinyl]amino]ethanol?

The IUPAC name of 2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-3-yl-3-pyridinyl]amino]ethanol (CID 44519531) is 2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-3-yl-3-pyridinyl]amino]ethanol.

What is the SMILES notation for 2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-3-yl-3-pyridinyl]amino]ethanol?

The canonical SMILES for 2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-3-yl-3-pyridinyl]amino]ethanol is OCCNc1ccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)nc1-c1cccnc1.

What is the InChIKey of 2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-3-yl-3-pyridinyl]amino]ethanol?

The InChIKey is MYYBCUUEXMCSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7O/c29-21-6-1-4-19(16-21)24-7-3-14-35(24)27-11-10-26-32-18-25(36(26)34-27)22-8-9-23(31-13-15-37)28(33-22)20-5-2-12-30-17-20/h1-2,4-6,8-12,16-18,24,31,37H,3,7,13-15H2.

What are the key properties of 2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-3-yl-3-pyridinyl]amino]ethanol?

2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-3-yl-3-pyridinyl]amino]ethanol has a molecular weight of 495.56 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-3-yl-3-pyridinyl]amino]ethanol is sourced from PubChem (CID 44519531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).