tert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate

C26H40N6O5Si — CID 169195368

IUPACtert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2ncc3c(N4CCC(=O)N(COCC[Si](C)(C)C)C4=O)cncc32)CC1
InChIInChI=1S/C26H40N6O5Si/c1-26(2,3)37-25(35)29-10-7-19(8-11-29)32-22-17-27-16-21(20(22)15-28-32)30-12-9-23(33)31(24(30)34)18-36-13-14-38(4,5)6/h15-17,19H,7-14,18H2,1-6H3
InChIKeyQBMOKPJNWDACHY-UHFFFAOYSA-N
MW544.73 g/mol
LogP4.47
Rot. Bonds7

About tert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate (PubChem CID 169195368) has the molecular formula C26H40N6O5Si and a molecular weight of 544.73 g/mol. Its IUPAC name is tert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
PubChem CID169195368
Molecular FormulaC26H40N6O5Si
Molecular Weight544.73 g/mol
Exact Mass544.28
IUPAC Nametert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2ncc3c(N4CCC(=O)N(COCC[Si](C)(C)C)C4=O)cncc32)CC1
InChIInChI=1S/C26H40N6O5Si/c1-26(2,3)37-25(35)29-10-7-19(8-11-29)32-22-17-27-16-21(20(22)15-28-32)30-12-9-23(33)31(24(30)34)18-36-13-14-38(4,5)6/h15-17,19H,7-14,18H2,1-6H3
InChIKeyQBMOKPJNWDACHY-UHFFFAOYSA-N
XLogP4.47
TPSA110.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.73
LogP ≤ 54.47
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 tert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

benzyl 4-[6-(dimethylcarbamoyl)-4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]indol-1-yl]piperidine-1-carboxylate
CID 169195066
tert-butyl 4-[8-methoxy-4-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]isoquinolin-7-yl]piperazine-1-carboxylate
CID 164567779
tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate
CID 118961780
tert-butyl 4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indazol-1-yl]piperidin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 169195490
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid
CID 24746486
tert-butyl 4-(4-ethoxy-5-methylindazol-1-yl)piperidine-1-carboxylate;4-ethoxy-5-methyl-1-piperidin-4-ylindazole;methane;hydrochloride
CID 158034252
tert-butyl 4-[1-(2-trimethylsilylethoxymethyl)benzimidazole-2-carbonyl]piperidine-1-carboxylate
CID 70104650
tert-butyl 4-[4-amino-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]piperidine-1-carboxylate
CID 170747040
tert-butyl 4-[[5-cyano-4-[1-(2-trimethylsilylethoxymethyl)indazol-4-yl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 171839783
ethyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-5-carboxylate
CID 118378622
tert-butyl (3R,4R)-3-[[2-[(3R)-2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-4-methylpiperidine-1-carboxylate
CID 175844431
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 123215679

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate (CID 169195368) is tert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2ncc3c(N4CCC(=O)N(COCC[Si](C)(C)C)C4=O)cncc32)CC1.
What is the InChIKey of tert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate?
The InChIKey is QBMOKPJNWDACHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N6O5Si/c1-26(2,3)37-25(35)29-10-7-19(8-11-29)32-22-17-27-16-21(20(22)15-28-32)30-12-9-23(33)31(24(30)34)18-36-13-14-38(4,5)6/h15-17,19H,7-14,18H2,1-6H3.
What are the key properties of tert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate has a molecular weight of 544.73 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[2,4-dioxo-3-(2-trimethylsilylethoxymethyl)-1,3-diazinan-1-yl]pyrazolo[3,4-c]pyridin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 169195368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).