2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane

C18H23ClN4OSi — CID 158089966

IUPAC2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESCc1ccc2nn(COCC[Si](C)(C)C)c(-c3cc(Cl)ncn3)c2c1
InChIInChI=1S/C18H23ClN4OSi/c1-13-5-6-15-14(9-13)18(16-10-17(19)21-11-20-16)23(22-15)12-24-7-8-25(2,3)4/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyKHLKNPVHAZYNGV-UHFFFAOYSA-N
MW374.95 g/mol
LogP4.77
Rot. Bonds6

About 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane

2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane (PubChem CID 158089966) has the molecular formula C18H23ClN4OSi and a molecular weight of 374.95 g/mol. Its IUPAC name is 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane
PubChem CID158089966
Molecular FormulaC18H23ClN4OSi
Molecular Weight374.95 g/mol
Exact Mass374.13
IUPAC Name2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESCc1ccc2nn(COCC[Si](C)(C)C)c(-c3cc(Cl)ncn3)c2c1
InChIInChI=1S/C18H23ClN4OSi/c1-13-5-6-15-14(9-13)18(16-10-17(19)21-11-20-16)23(22-15)12-24-7-8-25(2,3)4/h5-6,9-11H,7-8,12H2,1-4H3
InChIKeyKHLKNPVHAZYNGV-UHFFFAOYSA-N
XLogP4.77
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.95
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane (CID 158089966) is 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane is Cc1ccc2nn(COCC[Si](C)(C)C)c(-c3cc(Cl)ncn3)c2c1.
What is the InChIKey of 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is KHLKNPVHAZYNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4OSi/c1-13-5-6-15-14(9-13)18(16-10-17(19)21-11-20-16)23(22-15)12-24-7-8-25(2,3)4/h5-6,9-11H,7-8,12H2,1-4H3.
What are the key properties of 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 374.95 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 158089966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).