tert-butyl-[[2-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]methoxy]-dimethylsilane

C28H35FN6O2Si — CID 171062317

About tert-butyl-[[2-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]methoxy]-dimethylsilane

tert-butyl-[[2-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]methoxy]-dimethylsilane (PubChem CID 171062317) has the molecular formula C28H35FN6O2Si and a molecular weight of 534.71 g/mol. Its IUPAC name is tert-butyl-[[2-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[2-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]methoxy]-dimethylsilane
• PubChem CID: 171062317
• Molecular Formula: C28H35FN6O2Si
• Molecular Weight: 534.71 g/mol
• Exact Mass: 534.26
• IUPAC Name: tert-butyl-[[2-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]methoxy]-dimethylsilane
• SMILES: COc1ccc(F)cc1[C@H]1CCCN1c1ccc2ncc(-c3nccc(CO[Si](C)(C)C(C)(C)C)n3)n2n1
• InChI: InChI=1S/C28H35FN6O2Si/c1-28(2,3)38(5,6)37-18-20-13-14-30-27(32-20)23-17-31-25-11-12-26(33-35(23)25)34-15-7-8-22(34)21-16-19(29)9-10-24(21)36-4/h9-14,16-17,22H,7-8,15,18H2,1-6H3/t22-/m1/s1
• InChIKey: PIORZFRBYABNQO-JOCHJYFZSA-N
• XLogP: 6.20
• TPSA: 77.67 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.71
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[2-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]methoxy]-dimethylsilane (CID 171062317) is tert-butyl-[[2-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[2-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[2-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]methoxy]-dimethylsilane is COc1ccc(F)cc1[C@H]1CCCN1c1ccc2ncc(-c3nccc(CO[Si](C)(C)C(C)(C)C)n3)n2n1.

What is the InChIKey of tert-butyl-[[2-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]methoxy]-dimethylsilane?

The InChIKey is PIORZFRBYABNQO-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H35FN6O2Si/c1-28(2,3)38(5,6)37-18-20-13-14-30-27(32-20)23-17-31-25-11-12-26(33-35(23)25)34-15-7-8-22(34)21-16-19(29)9-10-24(21)36-4/h9-14,16-17,22H,7-8,15,18H2,1-6H3/t22-/m1/s1.

What are the key properties of tert-butyl-[[2-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]methoxy]-dimethylsilane?

tert-butyl-[[2-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]methoxy]-dimethylsilane has a molecular weight of 534.71 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[2-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 171062317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).