7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one

C20H27N7O2Si — CID 123777860

IUPAC7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one
SMILESCc1ccc2c(-c3nnc4c(n3)NC(=O)C4(C)C)nn(COCC[Si](C)(C)C)c2n1
InChIInChI=1S/C20H27N7O2Si/c1-12-7-8-13-14(16-22-17-15(24-25-16)20(2,3)19(28)23-17)26-27(18(13)21-12)11-29-9-10-30(4,5)6/h7-8H,9-11H2,1-6H3,(H,22,23,25,28)
InChIKeyYAAMXKXRNBJPJW-UHFFFAOYSA-N
MW425.57 g/mol
LogP3.13
Rot. Bonds6

About 7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one

7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one (PubChem CID 123777860) has the molecular formula C20H27N7O2Si and a molecular weight of 425.57 g/mol. Its IUPAC name is 7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one.

Molecular Properties

Compound Name7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one
PubChem CID123777860
Molecular FormulaC20H27N7O2Si
Molecular Weight425.57 g/mol
Exact Mass425.20
IUPAC Name7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one
SMILESCc1ccc2c(-c3nnc4c(n3)NC(=O)C4(C)C)nn(COCC[Si](C)(C)C)c2n1
InChIInChI=1S/C20H27N7O2Si/c1-12-7-8-13-14(16-22-17-15(24-25-16)20(2,3)19(28)23-17)26-27(18(13)21-12)11-29-9-10-30(4,5)6/h7-8H,9-11H2,1-6H3,(H,22,23,25,28)
InChIKeyYAAMXKXRNBJPJW-UHFFFAOYSA-N
XLogP3.13
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one with MolForge

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Related Compounds

ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate
CID 123570217
6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-amine
CID 141449114
6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 123634189
4-amino-2-[1-[(2,3-difluoro-4-methylphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 139537946
2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 163251887
2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163251763
4-methoxy-3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-amine
CID 169305279
3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile
CID 172806040
4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
CID 140776896
2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 166110620
2-[[6-bromo-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 174065746
3-(2-trimethylsilylethoxymethyl)pyrimidin-4-one
CID 175839640

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one?
The IUPAC name of 7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one (CID 123777860) is 7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one.
What is the SMILES notation for 7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one?
The canonical SMILES for 7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one is Cc1ccc2c(-c3nnc4c(n3)NC(=O)C4(C)C)nn(COCC[Si](C)(C)C)c2n1.
What is the InChIKey of 7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one?
The InChIKey is YAAMXKXRNBJPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2Si/c1-12-7-8-13-14(16-22-17-15(24-25-16)20(2,3)19(28)23-17)26-27(18(13)21-12)11-29-9-10-30(4,5)6/h7-8H,9-11H2,1-6H3,(H,22,23,25,28).
What are the key properties of 7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one?
7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one has a molecular weight of 425.57 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one is sourced from PubChem (CID 123777860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).