1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol

C25H25FN6O2 — CID 76765226

About 1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol

1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol (PubChem CID 76765226) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is 1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol.

Molecular Properties

• Compound Name: 1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol
• PubChem CID: 76765226
• Molecular Formula: C25H25FN6O2
• Molecular Weight: 460.51 g/mol
• Exact Mass: 460.20
• IUPAC Name: 1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol
• SMILES: OC1CN(c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)CC1O
• InChI: InChI=1S/C25H25FN6O2/c26-17-5-1-4-16(12-17)19-7-3-11-31(19)25-10-9-23-27-13-20(32(23)29-25)18-6-2-8-24(28-18)30-14-21(33)22(34)15-30/h1-2,4-6,8-10,12-13,19,21-22,33-34H,3,7,11,14-15H2
• InChIKey: TXAKHUCWACPYNU-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 90.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.51
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol?

The IUPAC name of 1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol (CID 76765226) is 1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol.

What is the SMILES notation for 1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol?

The canonical SMILES for 1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol is OC1CN(c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)CC1O.

What is the InChIKey of 1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol?

The InChIKey is TXAKHUCWACPYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2/c26-17-5-1-4-16(12-17)19-7-3-11-31(19)25-10-9-23-27-13-20(32(23)29-25)18-6-2-8-24(28-18)30-14-21(33)22(34)15-30/h1-2,4-6,8-10,12-13,19,21-22,33-34H,3,7,11,14-15H2.

What are the key properties of 1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol?

1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol has a molecular weight of 460.51 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 76765226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).