trimethyl-[2-[[4-[(3S)-piperidin-3-yl]oxypyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl]silane

C16H27N5O2Si — CID 86706463

IUPACtrimethyl-[2-[[4-[(3S)-piperidin-3-yl]oxypyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ncc2c(O[C@H]3CCCNC3)ncnc21
InChIInChI=1S/C16H27N5O2Si/c1-24(2,3)8-7-22-12-21-15-14(10-20-21)16(19-11-18-15)23-13-5-4-6-17-9-13/h10-11,13,17H,4-9,12H2,1-3H3/t13-/m0/s1
InChIKeyZLDUHBOQHPWHQH-ZDUSSCGKSA-N
MW349.51 g/mol
LogP2.27
Rot. Bonds7

About trimethyl-[2-[[4-[(3S)-piperidin-3-yl]oxypyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[4-[(3S)-piperidin-3-yl]oxypyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl]silane (PubChem CID 86706463) has the molecular formula C16H27N5O2Si and a molecular weight of 349.51 g/mol. Its IUPAC name is trimethyl-[2-[[4-[(3S)-piperidin-3-yl]oxypyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-[(3S)-piperidin-3-yl]oxypyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl]silane
PubChem CID86706463
Molecular FormulaC16H27N5O2Si
Molecular Weight349.51 g/mol
Exact Mass349.19
IUPAC Nametrimethyl-[2-[[4-[(3S)-piperidin-3-yl]oxypyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ncc2c(O[C@H]3CCCNC3)ncnc21
InChIInChI=1S/C16H27N5O2Si/c1-24(2,3)8-7-22-12-21-15-14(10-20-21)16(19-11-18-15)23-13-5-4-6-17-9-13/h10-11,13,17H,4-9,12H2,1-3H3/t13-/m0/s1
InChIKeyZLDUHBOQHPWHQH-ZDUSSCGKSA-N
XLogP2.27
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.51
LogP ≤ 52.27
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[4-[(3S)-piperidin-3-yl]oxypyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-[(3S)-piperidin-3-yl]oxypyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl]silane (CID 86706463) is trimethyl-[2-[[4-[(3S)-piperidin-3-yl]oxypyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-[(3S)-piperidin-3-yl]oxypyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-[(3S)-piperidin-3-yl]oxypyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1ncc2c(O[C@H]3CCCNC3)ncnc21.
What is the InChIKey of trimethyl-[2-[[4-[(3S)-piperidin-3-yl]oxypyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl]silane?
The InChIKey is ZLDUHBOQHPWHQH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N5O2Si/c1-24(2,3)8-7-22-12-21-15-14(10-20-21)16(19-11-18-15)23-13-5-4-6-17-9-13/h10-11,13,17H,4-9,12H2,1-3H3/t13-/m0/s1.
What are the key properties of trimethyl-[2-[[4-[(3S)-piperidin-3-yl]oxypyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-[(3S)-piperidin-3-yl]oxypyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl]silane has a molecular weight of 349.51 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-[(3S)-piperidin-3-yl]oxypyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 86706463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).