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

C26H40N8O3SSi — CID 176598594

IUPACtrimethyl-[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
SMILESC[C@@H]1COCCN1c1cc(N=S2(=O)CC3(CN(C)C3)C2)c2cnn(-c3ccn(COCC[Si](C)(C)C)n3)c2n1
InChIInChI=1S/C26H40N8O3SSi/c1-20-14-36-9-8-33(20)24-12-22(30-38(35)17-26(18-38)15-31(2)16-26)21-13-27-34(25(21)28-24)23-6-7-32(29-23)19-37-10-11-39(3,4)5/h6-7,12-13,20H,8-11,14-19H2,1-5H3/t20-/m1/s1
InChIKeyOCTIUIYVJQQXIN-HXUWFJFHSA-N
MW572.81 g/mol
LogP3.20
Rot. Bonds8

About 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

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 (PubChem CID 176598594) has the molecular formula C26H40N8O3SSi and a molecular weight of 572.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametrimethyl-[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
PubChem CID176598594
Molecular FormulaC26H40N8O3SSi
Molecular Weight572.81 g/mol
Exact Mass572.27
IUPAC Nametrimethyl-[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
SMILESC[C@@H]1COCCN1c1cc(N=S2(=O)CC3(CN(C)C3)C2)c2cnn(-c3ccn(COCC[Si](C)(C)C)n3)c2n1
InChIInChI=1S/C26H40N8O3SSi/c1-20-14-36-9-8-33(20)24-12-22(30-38(35)17-26(18-38)15-31(2)16-26)21-13-27-34(25(21)28-24)23-6-7-32(29-23)19-37-10-11-39(3,4)5/h6-7,12-13,20H,8-11,14-19H2,1-5H3/t20-/m1/s1
InChIKeyOCTIUIYVJQQXIN-HXUWFJFHSA-N
XLogP3.20
TPSA102.90 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.81
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
trimethyl-[2-[[5-[(3R)-3-methylmorpholin-4-yl]-3-[2-(oxan-2-yl)pyrazol-3-yl]-7-[(1-oxothiolan-1-ylidene)amino]pyrazolo[4,5-b]pyridin-1-yl]methoxy]ethyl]silane
CID 168878190
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
cyclopropyl-methyl-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]imino-oxo-λ6-sulfane
CID 175679888
methyl-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]imino-oxo-pyridin-4-yl-λ6-sulfane
CID 176598553
3-methyl-4-[4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]morpholine
CID 175084886
trimethyl-[2-[[3-methyl-5-[5-[(3R)-3-methylmorpholin-4-yl]-7-(2H-triazol-4-yl)-[1,2]thiazolo[4,5-b]pyridin-3-yl]pyrazol-1-yl]methoxy]ethyl]silane
CID 175910779
2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 87234798
[7-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]spiro[3.5]nonan-8-yl]methanol
CID 155585683
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 177313312

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1COCCN1c1cc(N=S2(=O)CC3(CN(C)C3)C2)c2cnn(-c3ccn(COCC[Si](C)(C)C)n3)c2n1.
What is the InChIKey of 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?
The InChIKey is OCTIUIYVJQQXIN-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H40N8O3SSi/c1-20-14-36-9-8-33(20)24-12-22(30-38(35)17-26(18-38)15-31(2)16-26)21-13-27-34(25(21)28-24)23-6-7-32(29-23)19-37-10-11-39(3,4)5/h6-7,12-13,20H,8-11,14-19H2,1-5H3/t20-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 572.81 g/mol, XLogP of 3.20, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176598594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).