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

C22H24ClN5OSi — CID 90398667

IUPAC2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc2ccc(-c3cccnc3)cc2c1-c1cc(Cl)ncn1
InChIInChI=1S/C22H24ClN5OSi/c1-30(2,3)10-9-29-15-28-22(20-12-21(23)26-14-25-20)18-11-16(6-7-19(18)27-28)17-5-4-8-24-13-17/h4-8,11-14H,9-10,15H2,1-3H3
InChIKeyAORYTVGMDZEGHQ-UHFFFAOYSA-N
MW438.01 g/mol
LogP5.52
Rot. Bonds7

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

2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90398667) has the molecular formula C22H24ClN5OSi and a molecular weight of 438.01 g/mol. Its IUPAC name is 2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane
PubChem CID90398667
Molecular FormulaC22H24ClN5OSi
Molecular Weight438.01 g/mol
Exact Mass437.14
IUPAC Name2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc2ccc(-c3cccnc3)cc2c1-c1cc(Cl)ncn1
InChIInChI=1S/C22H24ClN5OSi/c1-30(2,3)10-9-29-15-28-22(20-12-21(23)26-14-25-20)18-11-16(6-7-19(18)27-28)17-5-4-8-24-13-17/h4-8,11-14H,9-10,15H2,1-3H3
InChIKeyAORYTVGMDZEGHQ-UHFFFAOYSA-N
XLogP5.52
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.01
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane (CID 90398667) is 2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc2ccc(-c3cccnc3)cc2c1-c1cc(Cl)ncn1.
What is the InChIKey of 2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is AORYTVGMDZEGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5OSi/c1-30(2,3)10-9-29-15-28-22(20-12-21(23)26-14-25-20)18-11-16(6-7-19(18)27-28)17-5-4-8-24-13-17/h4-8,11-14H,9-10,15H2,1-3H3.
What are the key properties of 2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 438.01 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90398667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).