trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane

C23H32F3N7O4SSi — CID 170680002

IUPACtrimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane
SMILESC[C@@H]1COCCN1c1nc2c(cnn2-c2ccn(COCC[Si](C)(C)C)n2)c2c1CCN2S(=O)(=O)C(F)(F)F
InChIInChI=1S/C23H32F3N7O4SSi/c1-16-14-36-10-9-31(16)21-17-5-8-32(38(34,35)23(24,25)26)20(17)18-13-27-33(22(18)28-21)19-6-7-30(29-19)15-37-11-12-39(2,3)4/h6-7,13,16H,5,8-12,14-15H2,1-4H3/t16-/m1/s1
InChIKeyUVTOVLFPLUCLEN-MRXNPFEDSA-N
MW587.70 g/mol
LogP3.37
Rot. Bonds8

About trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane (PubChem CID 170680002) has the molecular formula C23H32F3N7O4SSi and a molecular weight of 587.70 g/mol. Its IUPAC name is trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane
PubChem CID170680002
Molecular FormulaC23H32F3N7O4SSi
Molecular Weight587.70 g/mol
Exact Mass587.20
IUPAC Nametrimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane
SMILESC[C@@H]1COCCN1c1nc2c(cnn2-c2ccn(COCC[Si](C)(C)C)n2)c2c1CCN2S(=O)(=O)C(F)(F)F
InChIInChI=1S/C23H32F3N7O4SSi/c1-16-14-36-10-9-31(16)21-17-5-8-32(38(34,35)23(24,25)26)20(17)18-13-27-33(22(18)28-21)19-6-7-30(29-19)15-37-11-12-39(2,3)4/h6-7,13,16H,5,8-12,14-15H2,1-4H3/t16-/m1/s1
InChIKeyUVTOVLFPLUCLEN-MRXNPFEDSA-N
XLogP3.37
TPSA107.61 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.70
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane with MolForge

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Related Compounds

trimethyl-[2-[[3-[6-[(3R)-3-methylmorpholin-4-yl]-4-[(6-methyl-2-oxo-2λ6-thia-6-azaspiro[3.3]heptan-2-ylidene)amino]pyrazolo[5,4-b]pyridin-1-yl]pyrazol-1-yl]methoxy]ethyl]silane
CID 176598594
[1-hydroxy-2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethyl] 2,2,2-trifluoroacetate
CID 169003255
(3R)-4-[3-(2-fluoroethyl)-10-(2H-pyrrol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-7-yl]-3-methylmorpholine
CID 174179790
2-[7-[(3R)-3-methylmorpholin-4-yl]-10-(1H-pyrazol-5-yl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]ethanol;2,2,2-trifluoroacetic acid
CID 175729827
9-[2-[6-[(3R)-3-methylmorpholin-4-yl]-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]ethynyl]-3-oxaspiro[5.5]undecan-9-ol
CID 174075030
1-cyclopropyl-3-[4-[6-[(3R)-3-methylmorpholin-4-yl]-1-[4-methyl-1-(2-trimethylsilylethoxy)pyrazol-3-yl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]urea
CID 175908749
3-(3-methylmorpholin-4-yl)-2-(trifluoromethylsulfonyloxy)quinoxaline-6-carboxylic acid
CID 88880285
7-fluoro-5-[(3R)-3-methylmorpholin-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-1,6-naphthyridine-8-carbaldehyde
CID 170110731
(3R)-3-methyl-4-[9-methylsulfonyl-3-(1H-pyrazol-5-yl)pyrazolo[5,4-c][2,6]naphthyridin-5-yl]morpholine
CID 174179967
1-[4-[7-acetyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59239532
3-[4-(2-aminopyrimidin-5-yl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]azetidine-1-sulfonamide
CID 118444316
tert-butyl 3-[3-[4-(2-aminopyrimidin-5-yl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]azetidin-1-yl]sulfonylazetidine-1-carboxylate
CID 118444391

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane (CID 170680002) is trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane is C[C@@H]1COCCN1c1nc2c(cnn2-c2ccn(COCC[Si](C)(C)C)n2)c2c1CCN2S(=O)(=O)C(F)(F)F.
What is the InChIKey of trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane?
The InChIKey is UVTOVLFPLUCLEN-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H32F3N7O4SSi/c1-16-14-36-10-9-31(16)21-17-5-8-32(38(34,35)23(24,25)26)20(17)18-13-27-33(22(18)28-21)19-6-7-30(29-19)15-37-11-12-39(2,3)4/h6-7,13,16H,5,8-12,14-15H2,1-4H3/t16-/m1/s1.
What are the key properties of trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane has a molecular weight of 587.70 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[3-[7-[(3R)-3-methylmorpholin-4-yl]-3-(trifluoromethylsulfonyl)-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-10-yl]pyrazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 170680002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).