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

C25H31N7O2Si — CID 90398664

IUPACtrimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyrazin-2-ylindazol-2-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc2ccc(-c3cnccn3)cc2c1-c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C25H31N7O2Si/c1-35(2,3)13-12-34-18-32-25(22-15-24(29-17-28-22)31-8-10-33-11-9-31)20-14-19(4-5-21(20)30-32)23-16-26-6-7-27-23/h4-7,14-17H,8-13,18H2,1-3H3
InChIKeyNVBYOTPXHQGZQG-UHFFFAOYSA-N
MW489.66 g/mol
LogP4.10
Rot. Bonds8

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

trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyrazin-2-ylindazol-2-yl]methoxy]ethyl]silane (PubChem CID 90398664) has the molecular formula C25H31N7O2Si and a molecular weight of 489.66 g/mol. Its IUPAC name is trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyrazin-2-ylindazol-2-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyrazin-2-ylindazol-2-yl]methoxy]ethyl]silane
PubChem CID90398664
Molecular FormulaC25H31N7O2Si
Molecular Weight489.66 g/mol
Exact Mass489.23
IUPAC Nametrimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyrazin-2-ylindazol-2-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc2ccc(-c3cnccn3)cc2c1-c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C25H31N7O2Si/c1-35(2,3)13-12-34-18-32-25(22-15-24(29-17-28-22)31-8-10-33-11-9-31)20-14-19(4-5-21(20)30-32)23-16-26-6-7-27-23/h4-7,14-17H,8-13,18H2,1-3H3
InChIKeyNVBYOTPXHQGZQG-UHFFFAOYSA-N
XLogP4.10
TPSA91.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-pyrazin-2-ylindazol-2-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyrazin-2-ylindazol-2-yl]methoxy]ethyl]silane (CID 90398664) is trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyrazin-2-ylindazol-2-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyrazin-2-ylindazol-2-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyrazin-2-ylindazol-2-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1nc2ccc(-c3cnccn3)cc2c1-c1cc(N2CCOCC2)ncn1.
What is the InChIKey of trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyrazin-2-ylindazol-2-yl]methoxy]ethyl]silane?
The InChIKey is NVBYOTPXHQGZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2Si/c1-35(2,3)13-12-34-18-32-25(22-15-24(29-17-28-22)31-8-10-33-11-9-31)20-14-19(4-5-21(20)30-32)23-16-26-6-7-27-23/h4-7,14-17H,8-13,18H2,1-3H3.
What are the key properties of trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyrazin-2-ylindazol-2-yl]methoxy]ethyl]silane?
trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyrazin-2-ylindazol-2-yl]methoxy]ethyl]silane has a molecular weight of 489.66 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyrazin-2-ylindazol-2-yl]methoxy]ethyl]silane is sourced from PubChem (CID 90398664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).