7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one

C24H31N7O2SSi — CID 162366921

IUPAC7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one
SMILESCc1c2c(=O)n(Cc3ccn(C)n3)ncc2c2sc(Cc3ccn(COCC[Si](C)(C)C)n3)cn12
InChIInChI=1S/C24H31N7O2SSi/c1-17-22-21(13-25-31(23(22)32)14-19-6-8-28(2)26-19)24-30(17)15-20(34-24)12-18-7-9-29(27-18)16-33-10-11-35(3,4)5/h6-9,13,15H,10-12,14,16H2,1-5H3
InChIKeyHPIGCSKTXXWIKT-UHFFFAOYSA-N
MW509.71 g/mol
LogP3.90
Rot. Bonds9

About 7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one

7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one (PubChem CID 162366921) has the molecular formula C24H31N7O2SSi and a molecular weight of 509.71 g/mol. Its IUPAC name is 7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one.

Molecular Properties

Compound Name7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one
PubChem CID162366921
Molecular FormulaC24H31N7O2SSi
Molecular Weight509.71 g/mol
Exact Mass509.20
IUPAC Name7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one
SMILESCc1c2c(=O)n(Cc3ccn(C)n3)ncc2c2sc(Cc3ccn(COCC[Si](C)(C)C)n3)cn12
InChIInChI=1S/C24H31N7O2SSi/c1-17-22-21(13-25-31(23(22)32)14-19-6-8-28(2)26-19)24-30(17)15-20(34-24)12-18-7-9-29(27-18)16-33-10-11-35(3,4)5/h6-9,13,15H,10-12,14,16H2,1-5H3
InChIKeyHPIGCSKTXXWIKT-UHFFFAOYSA-N
XLogP3.90
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.71
LogP ≤ 53.90
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 7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one with MolForge

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Related Compounds

7-methyl-4-(tetrazol-1-ylmethyl)-10-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 164828818
4-[benzenesulfonyl-[6-(dimethylamino)-2-pyridinyl]methyl]-7-methyl-10-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 150912087
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
ethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 69370657
8-bromo-5-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyridazino[4,5-b]indol-4-one
CID 154681906
2-(4-chloro-5-methylpyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]acetamide
CID 19330844
4-(aminomethyl)-7-methyl-10-[[1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 150091094
5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde
CID 164900212
4-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
CID 166524443
2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 174041088
3-bromo-4-methyl-5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]thiophene-2-carboxylic acid
CID 170650358
7-methyl-4-[phenyl-[1-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl]-10-[[3-(trifluoromethoxy)phenyl]methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 154588991

Frequently Asked Questions

What is the IUPAC name of 7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one?
The IUPAC name of 7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one (CID 162366921) is 7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one.
What is the SMILES notation for 7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one?
The canonical SMILES for 7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one is Cc1c2c(=O)n(Cc3ccn(C)n3)ncc2c2sc(Cc3ccn(COCC[Si](C)(C)C)n3)cn12.
What is the InChIKey of 7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one?
The InChIKey is HPIGCSKTXXWIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2SSi/c1-17-22-21(13-25-31(23(22)32)14-19-6-8-28(2)26-19)24-30(17)15-20(34-24)12-18-7-9-29(27-18)16-33-10-11-35(3,4)5/h6-9,13,15H,10-12,14,16H2,1-5H3.
What are the key properties of 7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one?
7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one has a molecular weight of 509.71 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-4-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methyl]-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraen-9-one is sourced from PubChem (CID 162366921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).