2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C31H40N6O3Si — CID 90400953

IUPAC2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ccnc(N4CCOCC4)c3)ccc21
InChIInChI=1S/C31H40N6O3Si/c1-41(2,3)19-18-40-23-37-28-5-4-24(25-6-8-32-29(21-25)35-10-14-38-15-11-35)20-27(28)31(34-37)26-7-9-33-30(22-26)36-12-16-39-17-13-36/h4-9,20-22H,10-19,23H2,1-3H3
InChIKeyZJODLMJMLQHXNT-UHFFFAOYSA-N
MW572.79 g/mol
LogP5.15
Rot. Bonds9

About 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90400953) has the molecular formula C31H40N6O3Si and a molecular weight of 572.79 g/mol. Its IUPAC name is 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID90400953
Molecular FormulaC31H40N6O3Si
Molecular Weight572.79 g/mol
Exact Mass572.29
IUPAC Name2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ccnc(N4CCOCC4)c3)ccc21
InChIInChI=1S/C31H40N6O3Si/c1-41(2,3)19-18-40-23-37-28-5-4-24(25-6-8-32-29(21-25)35-10-14-38-15-11-35)20-27(28)31(34-37)26-7-9-33-30(22-26)36-12-16-39-17-13-36/h4-9,20-22H,10-19,23H2,1-3H3
InChIKeyZJODLMJMLQHXNT-UHFFFAOYSA-N
XLogP5.15
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.79
LogP ≤ 55.15
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 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 90400953) is 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ccnc(N4CCOCC4)c3)ccc21.
What is the InChIKey of 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZJODLMJMLQHXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O3Si/c1-41(2,3)19-18-40-23-37-28-5-4-24(25-6-8-32-29(21-25)35-10-14-38-15-11-35)20-27(28)31(34-37)26-7-9-33-30(22-26)36-12-16-39-17-13-36/h4-9,20-22H,10-19,23H2,1-3H3.
What are the key properties of 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 572.79 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90400953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).