2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C19H24ClN3O2Si — CID 163251763

IUPAC2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILES[2H]C([2H])([2H])Oc1ccccc1-c1nn(COCC[Si](C)(C)C)c2nc(Cl)ccc12
InChIInChI=1S/C19H24ClN3O2Si/c1-24-16-8-6-5-7-14(16)18-15-9-10-17(20)21-19(15)23(22-18)13-25-11-12-26(2,3)4/h5-10H,11-13H2,1-4H3/i1D3
InChIKeyPTCRSZUMTHTBSB-FIBGUPNXSA-N
MW392.98 g/mol
LogP5.07
Rot. Bonds8

About 2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 163251763) has the molecular formula C19H24ClN3O2Si and a molecular weight of 392.98 g/mol. Its IUPAC name is 2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID163251763
Molecular FormulaC19H24ClN3O2Si
Molecular Weight392.98 g/mol
Exact Mass392.15
IUPAC Name2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILES[2H]C([2H])([2H])Oc1ccccc1-c1nn(COCC[Si](C)(C)C)c2nc(Cl)ccc12
InChIInChI=1S/C19H24ClN3O2Si/c1-24-16-8-6-5-7-14(16)18-15-9-10-17(20)21-19(15)23(22-18)13-25-11-12-26(2,3)4/h5-10H,11-13H2,1-4H3/i1D3
InChIKeyPTCRSZUMTHTBSB-FIBGUPNXSA-N
XLogP5.07
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.98
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 163251763) is 2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is [2H]C([2H])([2H])Oc1ccccc1-c1nn(COCC[Si](C)(C)C)c2nc(Cl)ccc12.
What is the InChIKey of 2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is PTCRSZUMTHTBSB-FIBGUPNXSA-N. The full InChI is InChI=1S/C19H24ClN3O2Si/c1-24-16-8-6-5-7-14(16)18-15-9-10-17(20)21-19(15)23(22-18)13-25-11-12-26(2,3)4/h5-10H,11-13H2,1-4H3/i1D3.
What are the key properties of 2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 392.98 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 163251763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).