trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane

C25H33N7O2Si — CID 90400925

IUPACtrimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane
SMILESCn1cc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)nn1
InChIInChI=1S/C25H33N7O2Si/c1-30-17-22(27-29-30)19-5-6-23-21(15-19)25(28-32(23)18-34-13-14-35(2,3)4)20-7-8-26-24(16-20)31-9-11-33-12-10-31/h5-8,15-17H,9-14,18H2,1-4H3
InChIKeyTZNADBKBESQOCG-UHFFFAOYSA-N
MW491.67 g/mol
LogP4.04
Rot. Bonds8

About trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane (PubChem CID 90400925) has the molecular formula C25H33N7O2Si and a molecular weight of 491.67 g/mol. Its IUPAC name is trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane
PubChem CID90400925
Molecular FormulaC25H33N7O2Si
Molecular Weight491.67 g/mol
Exact Mass491.25
IUPAC Nametrimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane
SMILESCn1cc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)nn1
InChIInChI=1S/C25H33N7O2Si/c1-30-17-22(27-29-30)19-5-6-23-21(15-19)25(28-32(23)18-34-13-14-35(2,3)4)20-7-8-26-24(16-20)31-9-11-33-12-10-31/h5-8,15-17H,9-14,18H2,1-4H3
InChIKeyTZNADBKBESQOCG-UHFFFAOYSA-N
XLogP4.04
TPSA83.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.67
LogP ≤ 54.04
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-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane (CID 90400925) is trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane is Cn1cc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)nn1.
What is the InChIKey of trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is TZNADBKBESQOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2Si/c1-30-17-22(27-29-30)19-5-6-23-21(15-19)25(28-32(23)18-34-13-14-35(2,3)4)20-7-8-26-24(16-20)31-9-11-33-12-10-31/h5-8,15-17H,9-14,18H2,1-4H3.
What are the key properties of trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 491.67 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 90400925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).