2-[[3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane

C21H28FN3O2Si — CID 159637347

IUPAC2-[[3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(C)Oc1ccc2c(c1)c(-c1ccnc(F)c1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C21H28FN3O2Si/c1-15(2)27-17-6-7-19-18(13-17)21(16-8-9-23-20(22)12-16)24-25(19)14-26-10-11-28(3,4)5/h6-9,12-13,15H,10-11,14H2,1-5H3
InChIKeyDCSVFJBXMRROQK-UHFFFAOYSA-N
MW401.56 g/mol
LogP5.34
Rot. Bonds8

About 2-[[3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 159637347) has the molecular formula C21H28FN3O2Si and a molecular weight of 401.56 g/mol. Its IUPAC name is 2-[[3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID159637347
Molecular FormulaC21H28FN3O2Si
Molecular Weight401.56 g/mol
Exact Mass401.19
IUPAC Name2-[[3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(C)Oc1ccc2c(c1)c(-c1ccnc(F)c1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C21H28FN3O2Si/c1-15(2)27-17-6-7-19-18(13-17)21(16-8-9-23-20(22)12-16)24-25(19)14-26-10-11-28(3,4)5/h6-9,12-13,15H,10-11,14H2,1-5H3
InChIKeyDCSVFJBXMRROQK-UHFFFAOYSA-N
XLogP5.34
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.56
LogP ≤ 55.34
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-[[3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane (CID 159637347) is 2-[[3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane is CC(C)Oc1ccc2c(c1)c(-c1ccnc(F)c1)nn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[[3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is DCSVFJBXMRROQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2Si/c1-15(2)27-17-6-7-19-18(13-17)21(16-8-9-23-20(22)12-16)24-25(19)14-26-10-11-28(3,4)5/h6-9,12-13,15H,10-11,14H2,1-5H3.
What are the key properties of 2-[[3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 401.56 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159637347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).