tert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate

C25H43N5O3Si — CID 171424116

IUPACtert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(c2cnc3c(cnn3COCC[Si](C)(C)C)c2)CC1(C)C
InChIInChI=1S/C25H43N5O3Si/c1-24(2,3)33-23(31)28(6)21-10-11-29(17-25(21,4)5)20-14-19-15-27-30(22(19)26-16-20)18-32-12-13-34(7,8)9/h14-16,21H,10-13,17-18H2,1-9H3
InChIKeyUYLUNBBUTOQUHC-UHFFFAOYSA-N
MW489.74 g/mol
LogP5.22
Rot. Bonds7

About tert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate

tert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate (PubChem CID 171424116) has the molecular formula C25H43N5O3Si and a molecular weight of 489.74 g/mol. Its IUPAC name is tert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate
PubChem CID171424116
Molecular FormulaC25H43N5O3Si
Molecular Weight489.74 g/mol
Exact Mass489.31
IUPAC Nametert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(c2cnc3c(cnn3COCC[Si](C)(C)C)c2)CC1(C)C
InChIInChI=1S/C25H43N5O3Si/c1-24(2,3)33-23(31)28(6)21-10-11-29(17-25(21,4)5)20-14-19-15-27-30(22(19)26-16-20)18-32-12-13-34(7,8)9/h14-16,21H,10-13,17-18H2,1-9H3
InChIKeyUYLUNBBUTOQUHC-UHFFFAOYSA-N
XLogP5.22
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.74
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentane-1-carboxylate
CID 171424082
tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate
CID 170788354
tert-butyl N-[(3R)-1-[2-amino-6-[4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-(2,5-dimethylpyrrol-1-yl)-6-[4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;hydroxylamine;hydrochloride
CID 159122853
tert-butyl N-[1-[7-butanoyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]azetidin-3-yl]-N-methylcarbamate
CID 160650367
3-[5-tert-butyl-1-(3-phenylmethoxycyclobutyl)pyrazol-3-yl]-1-methyl-1-[(2R,4R)-2-methyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]urea
CID 171424201
[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
CID 171465915
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889
N-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]bicyclo[1.1.1]pentan-1-amine
CID 171424145
tert-butyl N-methyl-N-[1-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-[[1-(2-trimethylsilylethoxymethyl)-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazole-2-carbonyl]amino]phenyl]piperidin-4-yl]carbamate
CID 123724685
5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid
CID 153498713
tert-butyl N-methyl-N-[(14R)-14-methyl-16-oxo-6-(2-trimethylsilylethoxymethyl)-12-oxa-2,6,7,15,19,23,24-heptazapentacyclo[15.5.2.13,10.05,9.020,24]pentacosa-1(23),3(25),4,7,9,17,19,21-octaen-21-yl]carbamate
CID 176808029
tert-butyl N-methyl-N-[(3R)-1-(7-oxo-8H-1,8-naphthyridin-3-yl)pyrrolidin-3-yl]carbamate
CID 168978264

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate (CID 171424116) is tert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCN(c2cnc3c(cnn3COCC[Si](C)(C)C)c2)CC1(C)C.
What is the InChIKey of tert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate?
The InChIKey is UYLUNBBUTOQUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N5O3Si/c1-24(2,3)33-23(31)28(6)21-10-11-29(17-25(21,4)5)20-14-19-15-27-30(22(19)26-16-20)18-32-12-13-34(7,8)9/h14-16,21H,10-13,17-18H2,1-9H3.
What are the key properties of tert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate has a molecular weight of 489.74 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3,3-dimethyl-1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-5-yl]piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 171424116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).