ethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate

C26H35F3N4O3Si — CID 153453790

IUPACethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate
SMILESCCOC(=O)CC(c1cnc(C)c(CO[Si](C)(C)C(C)(C)C)c1)c1ccn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C26H35F3N4O3Si/c1-9-35-22(34)13-21(20-10-11-33-23(16(20)2)31-32-24(33)26(27,28)29)18-12-19(17(3)30-14-18)15-36-37(7,8)25(4,5)6/h10-12,14,21H,9,13,15H2,1-8H3
InChIKeyGGDNRWSQAVRVJC-UHFFFAOYSA-N
MW536.67 g/mol
LogP6.37
Rot. Bonds8

About ethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate

ethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate (PubChem CID 153453790) has the molecular formula C26H35F3N4O3Si and a molecular weight of 536.67 g/mol. Its IUPAC name is ethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate
PubChem CID153453790
Molecular FormulaC26H35F3N4O3Si
Molecular Weight536.67 g/mol
Exact Mass536.24
IUPAC Nameethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate
SMILESCCOC(=O)CC(c1cnc(C)c(CO[Si](C)(C)C(C)(C)C)c1)c1ccn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C26H35F3N4O3Si/c1-9-35-22(34)13-21(20-10-11-33-23(16(20)2)31-32-24(33)26(27,28)29)18-12-19(17(3)30-14-18)15-36-37(7,8)25(4,5)6/h10-12,14,21H,9,13,15H2,1-8H3
InChIKeyGGDNRWSQAVRVJC-UHFFFAOYSA-N
XLogP6.37
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate?
The IUPAC name of ethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate (CID 153453790) is ethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate.
What is the SMILES notation for ethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate?
The canonical SMILES for ethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate is CCOC(=O)CC(c1cnc(C)c(CO[Si](C)(C)C(C)(C)C)c1)c1ccn2c(C(F)(F)F)nnc2c1C.
What is the InChIKey of ethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate?
The InChIKey is GGDNRWSQAVRVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F3N4O3Si/c1-9-35-22(34)13-21(20-10-11-33-23(16(20)2)31-32-24(33)26(27,28)29)18-12-19(17(3)30-14-18)15-36-37(7,8)25(4,5)6/h10-12,14,21H,9,13,15H2,1-8H3.
What are the key properties of ethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate?
ethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate has a molecular weight of 536.67 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyl-3-pyridinyl]-3-[8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]propanoate is sourced from PubChem (CID 153453790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).