9-[(1R)-1-phenylethyl]-2-pyrazolo[1,5-a]pyrazin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one

C25H29N7O2Si — CID 70650283

IUPAC9-[(1R)-1-phenylethyl]-2-pyrazolo[1,5-a]pyrazin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one
SMILESC[C@H](c1ccccc1)n1c(=O)n(COCC[Si](C)(C)C)c2cnc(-c3cnn4ccncc34)nc21
InChIInChI=1S/C25H29N7O2Si/c1-18(19-8-6-5-7-9-19)32-24-22(30(25(32)33)17-34-12-13-35(2,3)4)16-27-23(29-24)20-14-28-31-11-10-26-15-21(20)31/h5-11,14-16,18H,12-13,17H2,1-4H3/t18-/m1/s1
InChIKeyHMPUQINAHIKTBK-GOSISDBHSA-N
MW487.64 g/mol
LogP4.22
Rot. Bonds8

About 9-[(1R)-1-phenylethyl]-2-pyrazolo[1,5-a]pyrazin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one

9-[(1R)-1-phenylethyl]-2-pyrazolo[1,5-a]pyrazin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one (PubChem CID 70650283) has the molecular formula C25H29N7O2Si and a molecular weight of 487.64 g/mol. Its IUPAC name is 9-[(1R)-1-phenylethyl]-2-pyrazolo[1,5-a]pyrazin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one.

Molecular Properties

Compound Name9-[(1R)-1-phenylethyl]-2-pyrazolo[1,5-a]pyrazin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one
PubChem CID70650283
Molecular FormulaC25H29N7O2Si
Molecular Weight487.64 g/mol
Exact Mass487.22
IUPAC Name9-[(1R)-1-phenylethyl]-2-pyrazolo[1,5-a]pyrazin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one
SMILESC[C@H](c1ccccc1)n1c(=O)n(COCC[Si](C)(C)C)c2cnc(-c3cnn4ccncc34)nc21
InChIInChI=1S/C25H29N7O2Si/c1-18(19-8-6-5-7-9-19)32-24-22(30(25(32)33)17-34-12-13-35(2,3)4)16-27-23(29-24)20-14-28-31-11-10-26-15-21(20)31/h5-11,14-16,18H,12-13,17H2,1-4H3/t18-/m1/s1
InChIKeyHMPUQINAHIKTBK-GOSISDBHSA-N
XLogP4.22
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.64
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

9-[1-(5-fluoro-2-pyridinyl)ethyl]-2-[(2-methoxy-3-pyridinyl)amino]-7-(2-trimethylsilylethoxymethyl)purin-8-one
CID 90218214
trimethyl-[2-(pyrazolo[5,4-c]pyridin-1-ylmethoxy)ethyl]silane
CID 154005449
2-chloro-9-[(1S,2R)-2-methylcyclohexyl]-7-(2-trimethylsilylethoxymethyl)purin-8-one
CID 87278369
trimethyl-[2-(pyrrolo[2,3-d]pyrimidin-7-ylmethoxy)ethyl]silane
CID 58172492
3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-one
CID 58577628
2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione
CID 175566095
3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 67078620
4-(bromomethyl)-1-ethyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-2-one
CID 68503428
2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
CID 164881021
7-(2-oxopropyl)-9-[1-(2-oxopropyl)piperidin-4-yl]-2-pyrazolo[1,5-a]pyridin-3-ylpurin-8-one
CID 67123999
3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione
CID 10764648
8-chloro-7-iodo-1,3-bis(2-trimethylsilylethoxymethyl)imidazo[4,5-b]quinolin-2-one
CID 171842684

Frequently Asked Questions

What is the IUPAC name of 9-[(1R)-1-phenylethyl]-2-pyrazolo[1,5-a]pyrazin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The IUPAC name of 9-[(1R)-1-phenylethyl]-2-pyrazolo[1,5-a]pyrazin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one (CID 70650283) is 9-[(1R)-1-phenylethyl]-2-pyrazolo[1,5-a]pyrazin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one.
What is the SMILES notation for 9-[(1R)-1-phenylethyl]-2-pyrazolo[1,5-a]pyrazin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The canonical SMILES for 9-[(1R)-1-phenylethyl]-2-pyrazolo[1,5-a]pyrazin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one is C[C@H](c1ccccc1)n1c(=O)n(COCC[Si](C)(C)C)c2cnc(-c3cnn4ccncc34)nc21.
What is the InChIKey of 9-[(1R)-1-phenylethyl]-2-pyrazolo[1,5-a]pyrazin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one?
The InChIKey is HMPUQINAHIKTBK-GOSISDBHSA-N. The full InChI is InChI=1S/C25H29N7O2Si/c1-18(19-8-6-5-7-9-19)32-24-22(30(25(32)33)17-34-12-13-35(2,3)4)16-27-23(29-24)20-14-28-31-11-10-26-15-21(20)31/h5-11,14-16,18H,12-13,17H2,1-4H3/t18-/m1/s1.
What are the key properties of 9-[(1R)-1-phenylethyl]-2-pyrazolo[1,5-a]pyrazin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one?
9-[(1R)-1-phenylethyl]-2-pyrazolo[1,5-a]pyrazin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one has a molecular weight of 487.64 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1R)-1-phenylethyl]-2-pyrazolo[1,5-a]pyrazin-3-yl-7-(2-trimethylsilylethoxymethyl)purin-8-one is sourced from PubChem (CID 70650283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).