(2S,6R)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine

C27H29FN6O — CID 67029040

About (2S,6R)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine

(2S,6R)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine (PubChem CID 67029040) has the molecular formula C27H29FN6O and a molecular weight of 472.57 g/mol. Its IUPAC name is (2S,6R)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine.

Molecular Properties

• Compound Name: (2S,6R)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
• PubChem CID: 67029040
• Molecular Formula: C27H29FN6O
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.24
• IUPAC Name: (2S,6R)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
• SMILES: C[C@@H]1CN(c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)C[C@H](C)O1
• InChI: InChI=1S/C27H29FN6O/c1-18-16-32(17-19(2)35-18)26-10-4-8-22(30-26)24-15-29-25-11-12-27(31-34(24)25)33-13-5-9-23(33)20-6-3-7-21(28)14-20/h3-4,6-8,10-12,14-15,18-19,23H,5,9,13,16-17H2,1-2H3/t18-,19+,23?
• InChIKey: UKRAPASFWDKIPP-LIMIJEPZSA-N
• XLogP: 4.89
• TPSA: 58.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2S,6R)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine (CID 67029040) is (2S,6R)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine.

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

The canonical SMILES for (2S,6R)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine is C[C@@H]1CN(c2cccc(-c3cnc4ccc(N5CCCC5c5cccc(F)c5)nn34)n2)C[C@H](C)O1.

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

The InChIKey is UKRAPASFWDKIPP-LIMIJEPZSA-N. The full InChI is InChI=1S/C27H29FN6O/c1-18-16-32(17-19(2)35-18)26-10-4-8-22(30-26)24-15-29-25-11-12-27(31-34(24)25)33-13-5-9-23(33)20-6-3-7-21(28)14-20/h3-4,6-8,10-12,14-15,18-19,23H,5,9,13,16-17H2,1-2H3/t18-,19+,23?.

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

(2S,6R)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine has a molecular weight of 472.57 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6R)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 67029040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).