trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane

C26H32N6O2Si — CID 90398871

IUPACtrimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc2ccc(-c3cccnc3)cc2c1-c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C26H32N6O2Si/c1-35(2,3)14-13-34-19-32-26(24-16-25(29-18-28-24)31-9-11-33-12-10-31)22-15-20(6-7-23(22)30-32)21-5-4-8-27-17-21/h4-8,15-18H,9-14,19H2,1-3H3
InChIKeyXLTJDXBRZRYONY-UHFFFAOYSA-N
MW488.67 g/mol
LogP4.70
Rot. Bonds8

About trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane

trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane (PubChem CID 90398871) has the molecular formula C26H32N6O2Si and a molecular weight of 488.67 g/mol. Its IUPAC name is trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane
PubChem CID90398871
Molecular FormulaC26H32N6O2Si
Molecular Weight488.67 g/mol
Exact Mass488.24
IUPAC Nametrimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc2ccc(-c3cccnc3)cc2c1-c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C26H32N6O2Si/c1-35(2,3)14-13-34-19-32-26(24-16-25(29-18-28-24)31-9-11-33-12-10-31)22-15-20(6-7-23(22)30-32)21-5-4-8-27-17-21/h4-8,15-18H,9-14,19H2,1-3H3
InChIKeyXLTJDXBRZRYONY-UHFFFAOYSA-N
XLogP4.70
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.67
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane (CID 90398871) is trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1nc2ccc(-c3cccnc3)cc2c1-c1cc(N2CCOCC2)ncn1.
What is the InChIKey of trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane?
The InChIKey is XLTJDXBRZRYONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2Si/c1-35(2,3)14-13-34-19-32-26(24-16-25(29-18-28-24)31-9-11-33-12-10-31)22-15-20(6-7-23(22)30-32)21-5-4-8-27-17-21/h4-8,15-18H,9-14,19H2,1-3H3.
What are the key properties of trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane?
trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane has a molecular weight of 488.67 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane is sourced from PubChem (CID 90398871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).