ethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate

C21H34N4O5SSi — CID 177323447

IUPACethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N2CCc3c(cnn3COCC[Si](C)(C)C)C2)c(C)n1C
InChIInChI=1S/C21H34N4O5SSi/c1-7-30-21(26)19-12-20(16(2)23(19)3)31(27,28)24-9-8-18-17(14-24)13-22-25(18)15-29-10-11-32(4,5)6/h12-13H,7-11,14-15H2,1-6H3
InChIKeyUVXDHGABUSOELJ-UHFFFAOYSA-N
MW482.68 g/mol
LogP2.77
Rot. Bonds9

About ethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate

ethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate (PubChem CID 177323447) has the molecular formula C21H34N4O5SSi and a molecular weight of 482.68 g/mol. Its IUPAC name is ethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate
PubChem CID177323447
Molecular FormulaC21H34N4O5SSi
Molecular Weight482.68 g/mol
Exact Mass482.20
IUPAC Nameethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N2CCc3c(cnn3COCC[Si](C)(C)C)C2)c(C)n1C
InChIInChI=1S/C21H34N4O5SSi/c1-7-30-21(26)19-12-20(16(2)23(19)3)31(27,28)24-9-8-18-17(14-24)13-22-25(18)15-29-10-11-32(4,5)6/h12-13H,7-11,14-15H2,1-6H3
InChIKeyUVXDHGABUSOELJ-UHFFFAOYSA-N
XLogP2.77
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.68
LogP ≤ 52.77
H-Bond Donors ≤ 50
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 ethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate (CID 177323447) is ethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)N2CCc3c(cnn3COCC[Si](C)(C)C)C2)c(C)n1C.
What is the InChIKey of ethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate?
The InChIKey is UVXDHGABUSOELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O5SSi/c1-7-30-21(26)19-12-20(16(2)23(19)3)31(27,28)24-9-8-18-17(14-24)13-22-25(18)15-29-10-11-32(4,5)6/h12-13H,7-11,14-15H2,1-6H3.
What are the key properties of ethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate?
ethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate has a molecular weight of 482.68 g/mol, XLogP of 2.77, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,5-dimethyl-4-[[1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]sulfonyl]pyrrole-2-carboxylate is sourced from PubChem (CID 177323447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).