tert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane

C33H48F3N5O2Si — CID 140845802

IUPACtert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane
SMILESCc1c(Cc2c(CN3CCCC(CO[Si](C)(C)C(C)(C)C)C3)nc3c(C)cc(N4CCOCC4)nn23)cccc1C(F)(F)F
InChIInChI=1S/C33H48F3N5O2Si/c1-23-18-30(40-14-16-42-17-15-40)38-41-29(19-26-11-8-12-27(24(26)2)33(34,35)36)28(37-31(23)41)21-39-13-9-10-25(20-39)22-43-44(6,7)32(3,4)5/h8,11-12,18,25H,9-10,13-17,19-22H2,1-7H3
InChIKeyGQRXZJYFQZQJIS-UHFFFAOYSA-N
MW631.86 g/mol
LogP7.03
Rot. Bonds8

About tert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane

tert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane (PubChem CID 140845802) has the molecular formula C33H48F3N5O2Si and a molecular weight of 631.86 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane
PubChem CID140845802
Molecular FormulaC33H48F3N5O2Si
Molecular Weight631.86 g/mol
Exact Mass631.35
IUPAC Nametert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane
SMILESCc1c(Cc2c(CN3CCCC(CO[Si](C)(C)C(C)(C)C)C3)nc3c(C)cc(N4CCOCC4)nn23)cccc1C(F)(F)F
InChIInChI=1S/C33H48F3N5O2Si/c1-23-18-30(40-14-16-42-17-15-40)38-41-29(19-26-11-8-12-27(24(26)2)33(34,35)36)28(37-31(23)41)21-39-13-9-10-25(20-39)22-43-44(6,7)32(3,4)5/h8,11-12,18,25H,9-10,13-17,19-22H2,1-7H3
InChIKeyGQRXZJYFQZQJIS-UHFFFAOYSA-N
XLogP7.03
TPSA55.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.86
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane with MolForge

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Related Compounds

CID 121426224
CID 121426224
CID 121426321
CID 121426321
CID 121426178
CID 121426178
CID 121426270
CID 121426270
CID 121426272
CID 121426272
CID 121426137
CID 121426137
CID 121426201
CID 121426201
CID 121426235
CID 121426235
CID 121426318
CID 121426318
CID 121426384
CID 121426384
CID 121426412
CID 121426412
CID 121426244
CID 121426244

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane (CID 140845802) is tert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane is Cc1c(Cc2c(CN3CCCC(CO[Si](C)(C)C(C)(C)C)C3)nc3c(C)cc(N4CCOCC4)nn23)cccc1C(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane?
The InChIKey is GQRXZJYFQZQJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48F3N5O2Si/c1-23-18-30(40-14-16-42-17-15-40)38-41-29(19-26-11-8-12-27(24(26)2)33(34,35)36)28(37-31(23)41)21-39-13-9-10-25(20-39)22-43-44(6,7)32(3,4)5/h8,11-12,18,25H,9-10,13-17,19-22H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane?
tert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane has a molecular weight of 631.86 g/mol, XLogP of 7.03, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[1-[[8-methyl-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl]methyl]piperidin-3-yl]methoxy]silane is sourced from PubChem (CID 140845802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).