4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol

C20H33N5O2Si — CID 66889445

IUPAC4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol
SMILESC[Si](C)(C)CCOCn1ccc(Nc2cccc(CC3(O)CCNCC3)n2)n1
InChIInChI=1S/C20H33N5O2Si/c1-28(2,3)14-13-27-16-25-12-7-19(24-25)23-18-6-4-5-17(22-18)15-20(26)8-10-21-11-9-20/h4-7,12,21,26H,8-11,13-16H2,1-3H3,(H,22,23,24)
InChIKeyVPIJIXQHQXSIEV-UHFFFAOYSA-N
MW403.60 g/mol
LogP2.99
Rot. Bonds9

About 4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol

4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol (PubChem CID 66889445) has the molecular formula C20H33N5O2Si and a molecular weight of 403.60 g/mol. Its IUPAC name is 4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol
PubChem CID66889445
Molecular FormulaC20H33N5O2Si
Molecular Weight403.60 g/mol
Exact Mass403.24
IUPAC Name4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol
SMILESC[Si](C)(C)CCOCn1ccc(Nc2cccc(CC3(O)CCNCC3)n2)n1
InChIInChI=1S/C20H33N5O2Si/c1-28(2,3)14-13-27-16-25-12-7-19(24-25)23-18-6-4-5-17(22-18)15-20(26)8-10-21-11-9-20/h4-7,12,21,26H,8-11,13-16H2,1-3H3,(H,22,23,24)
InChIKeyVPIJIXQHQXSIEV-UHFFFAOYSA-N
XLogP2.99
TPSA84.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.60
LogP ≤ 52.99
H-Bond Donors ≤ 53
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

4-(3-chloro-2-fluorophenoxy)-1-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]cyclohexane-1-carbonitrile
CID 59682948
phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate
CID 164836120
6-(4-methoxyphenyl)-2,3-diphenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one
CID 160941952
2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 87234798
3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one
CID 152925158
6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 151051356
4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 22628376
2-(2-trimethylsilylethoxymethyl)indazole-7-carboxylic acid
CID 175824202
2-[[3-(2-methoxyphenyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 162718102
trimethyl-[2-[[2-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl]silane
CID 175156101
4-[(3-methoxyphenoxy)methyl]piperidin-4-ol
CID 81042080
7-cyclopropyl-N-(1-methylpyrazol-3-yl)-3-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-5-amine
CID 140943272

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol?
The IUPAC name of 4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol (CID 66889445) is 4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol is C[Si](C)(C)CCOCn1ccc(Nc2cccc(CC3(O)CCNCC3)n2)n1.
What is the InChIKey of 4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol?
The InChIKey is VPIJIXQHQXSIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2Si/c1-28(2,3)14-13-27-16-25-12-7-19(24-25)23-18-6-4-5-17(22-18)15-20(26)8-10-21-11-9-20/h4-7,12,21,26H,8-11,13-16H2,1-3H3,(H,22,23,24).
What are the key properties of 4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol?
4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol has a molecular weight of 403.60 g/mol, XLogP of 2.99, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-2-pyridinyl]methyl]piperidin-4-ol is sourced from PubChem (CID 66889445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).