tert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate

C68H92F6N14O8Si2 — CID 175776701

IUPACtert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate
SMILESCOc1cc(-c2c(CC(F)(F)F)c(-c3cc(C)c(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)nn2COCC[Si](C)(C)C)cn2ncnc12.COc1cc(-c2c(CC(F)(F)F)c(-c3cc(C)c(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)nn2COCC[Si](C)(C)C)cn2ncnc12
InChIInChI=1S/2C34H46F3N7O4Si/c2*1-22-15-27(38-18-26(22)23-9-11-42(12-10-23)32(45)48-33(2,3)4)29-25(17-34(35,36)37)30(44(41-29)21-47-13-14-49(6,7)8)24-16-28(46-5)31-39-20-40-43(31)19-24/h2*15-16,18-20,23H,9-14,17,21H2,1-8H3
InChIKeyVPWDRBDFONDMRB-UHFFFAOYSA-N
MW1403.73 g/mol
LogP15.01
Rot. Bonds20

About tert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate

tert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate (PubChem CID 175776701) has the molecular formula C68H92F6N14O8Si2 and a molecular weight of 1403.73 g/mol. Its IUPAC name is tert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate
PubChem CID175776701
Molecular FormulaC68H92F6N14O8Si2
Molecular Weight1403.73 g/mol
Exact Mass1402.67
IUPAC Nametert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate
SMILESCOc1cc(-c2c(CC(F)(F)F)c(-c3cc(C)c(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)nn2COCC[Si](C)(C)C)cn2ncnc12.COc1cc(-c2c(CC(F)(F)F)c(-c3cc(C)c(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)nn2COCC[Si](C)(C)C)cn2ncnc12
InChIInChI=1S/2C34H46F3N7O4Si/c2*1-22-15-27(38-18-26(22)23-9-11-42(12-10-23)32(45)48-33(2,3)4)29-25(17-34(35,36)37)30(44(41-29)21-47-13-14-49(6,7)8)24-16-28(46-5)31-39-20-40-43(31)19-24/h2*15-16,18-20,23H,9-14,17,21H2,1-8H3
InChIKeyVPWDRBDFONDMRB-UHFFFAOYSA-N
XLogP15.01
TPSA217.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001403.73
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 6-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-3-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175776705
tert-butyl N-[2-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]propan-2-yl]carbamate
CID 164883715
tert-butyl 3-[4-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]azetidine-1-carboxylate
CID 156733923
tert-butyl 4-[4-amino-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]piperidine-1-carboxylate
CID 170747040
tert-butyl 4-[[4-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-methyl-2-nitrophenyl]methyl]piperidine-1-carboxylate
CID 167691275
tert-butyl 3-[5-(oxan-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidine-1-carboxylate
CID 177242977
tert-butyl 2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-3-propan-2-ylpyrrolo[3,2-b]pyridine-1-carboxylate
CID 138686937
tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 67494490
tert-butyl 4-[4-amino-2-[1-[[2,6-difluoro-4-(2-methoxyethoxy)phenyl]methyl]indazol-3-yl]pyrimidin-5-yl]piperidine-1-carboxylate
CID 130449801
2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-oxo-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 156733878
tert-butyl 4-[2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate
CID 162735592
tert-butyl 4-[[2-methyl-4-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-nitrophenyl]methyl]piperidine-1-carboxylate
CID 167550600

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate (CID 175776701) is tert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate is COc1cc(-c2c(CC(F)(F)F)c(-c3cc(C)c(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)nn2COCC[Si](C)(C)C)cn2ncnc12.COc1cc(-c2c(CC(F)(F)F)c(-c3cc(C)c(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)nn2COCC[Si](C)(C)C)cn2ncnc12.
What is the InChIKey of tert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate?
The InChIKey is VPWDRBDFONDMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H46F3N7O4Si/c2*1-22-15-27(38-18-26(22)23-9-11-42(12-10-23)32(45)48-33(2,3)4)29-25(17-34(35,36)37)30(44(41-29)21-47-13-14-49(6,7)8)24-16-28(46-5)31-39-20-40-43(31)19-24/h2*15-16,18-20,23H,9-14,17,21H2,1-8H3.
What are the key properties of tert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate?
tert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate has a molecular weight of 1403.73 g/mol, XLogP of 15.01, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-[5-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-4-methyl-3-pyridinyl]piperidine-1-carboxylate is sourced from PubChem (CID 175776701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).