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

C28H35FN6O2Si — CID 171062274

IUPACtert-butyl-[[6-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridazin-4-yl]methoxy]-dimethylsilane
SMILESCOc1ccc(F)cc1[C@H]1CCCN1c1ccc2ncc(-c3cc(CO[Si](C)(C)C(C)(C)C)cnn3)n2n1
InChIInChI=1S/C28H35FN6O2Si/c1-28(2,3)38(5,6)37-18-19-14-22(32-31-16-19)24-17-30-26-11-12-27(33-35(24)26)34-13-7-8-23(34)21-15-20(29)9-10-25(21)36-4/h9-12,14-17,23H,7-8,13,18H2,1-6H3/t23-/m1/s1
InChIKeyFTMPWEPQRQWDDJ-HSZRJFAPSA-N
MW534.71 g/mol
LogP6.20
Rot. Bonds7

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

tert-butyl-[[6-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridazin-4-yl]methoxy]-dimethylsilane (PubChem CID 171062274) has the molecular formula C28H35FN6O2Si and a molecular weight of 534.71 g/mol. Its IUPAC name is tert-butyl-[[6-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridazin-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[6-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridazin-4-yl]methoxy]-dimethylsilane
PubChem CID171062274
Molecular FormulaC28H35FN6O2Si
Molecular Weight534.71 g/mol
Exact Mass534.26
IUPAC Nametert-butyl-[[6-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridazin-4-yl]methoxy]-dimethylsilane
SMILESCOc1ccc(F)cc1[C@H]1CCCN1c1ccc2ncc(-c3cc(CO[Si](C)(C)C(C)(C)C)cnn3)n2n1
InChIInChI=1S/C28H35FN6O2Si/c1-28(2,3)38(5,6)37-18-19-14-22(32-31-16-19)24-17-30-26-11-12-27(33-35(24)26)34-13-7-8-23(34)21-15-20(29)9-10-25(21)36-4/h9-12,14-17,23H,7-8,13,18H2,1-6H3/t23-/m1/s1
InChIKeyFTMPWEPQRQWDDJ-HSZRJFAPSA-N
XLogP6.20
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.71
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[6-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridazin-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[6-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridazin-4-yl]methoxy]-dimethylsilane (CID 171062274) is tert-butyl-[[6-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridazin-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[6-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridazin-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[6-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridazin-4-yl]methoxy]-dimethylsilane is COc1ccc(F)cc1[C@H]1CCCN1c1ccc2ncc(-c3cc(CO[Si](C)(C)C(C)(C)C)cnn3)n2n1.
What is the InChIKey of tert-butyl-[[6-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridazin-4-yl]methoxy]-dimethylsilane?
The InChIKey is FTMPWEPQRQWDDJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H35FN6O2Si/c1-28(2,3)38(5,6)37-18-19-14-22(32-31-16-19)24-17-30-26-11-12-27(33-35(24)26)34-13-7-8-23(34)21-15-20(29)9-10-25(21)36-4/h9-12,14-17,23H,7-8,13,18H2,1-6H3/t23-/m1/s1.
What are the key properties of tert-butyl-[[6-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridazin-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[6-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridazin-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-[[6-[6-[(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridazin-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 171062274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).