2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol

C22H22FN7O — CID 58335928

About 2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol

2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol (PubChem CID 58335928) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is 2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol
• PubChem CID: 58335928
• Molecular Formula: C22H22FN7O
• Molecular Weight: 419.46 g/mol
• Exact Mass: 419.19
• IUPAC Name: 2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol
• SMILES: OCCNc1ncc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cn1
• InChI: InChI=1S/C22H22FN7O/c23-17-4-1-3-15(11-17)18-5-2-9-29(18)21-7-6-20-25-14-19(30(20)28-21)16-12-26-22(27-13-16)24-8-10-31/h1,3-4,6-7,11-14,18,31H,2,5,8-10H2,(H,24,26,27)
• InChIKey: RAWMTKTUUBFCGG-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 91.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.46
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol?

The IUPAC name of 2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol (CID 58335928) is 2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol.

What is the SMILES notation for 2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol?

The canonical SMILES for 2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol is OCCNc1ncc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cn1.

What is the InChIKey of 2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol?

The InChIKey is RAWMTKTUUBFCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O/c23-17-4-1-3-15(11-17)18-5-2-9-29(18)21-7-6-20-25-14-19(30(20)28-21)16-12-26-22(27-13-16)24-8-10-31/h1,3-4,6-7,11-14,18,31H,2,5,8-10H2,(H,24,26,27).

What are the key properties of 2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol?

2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol has a molecular weight of 419.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 58335928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).