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

C25H34N4O2Si — CID 90400963

IUPAC2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(C3CC3)ccc21
InChIInChI=1S/C25H34N4O2Si/c1-32(2,3)15-14-31-18-29-23-7-6-20(19-4-5-19)16-22(23)25(27-29)21-8-9-26-24(17-21)28-10-12-30-13-11-28/h6-9,16-17,19H,4-5,10-15,18H2,1-3H3
InChIKeyLUWKEMBMWFTNJQ-UHFFFAOYSA-N
MW450.66 g/mol
LogP5.12
Rot. Bonds8

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

2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90400963) has the molecular formula C25H34N4O2Si and a molecular weight of 450.66 g/mol. Its IUPAC name is 2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID90400963
Molecular FormulaC25H34N4O2Si
Molecular Weight450.66 g/mol
Exact Mass450.25
IUPAC Name2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(C3CC3)ccc21
InChIInChI=1S/C25H34N4O2Si/c1-32(2,3)15-14-31-18-29-23-7-6-20(19-4-5-19)16-22(23)25(27-29)21-8-9-26-24(17-21)28-10-12-30-13-11-28/h6-9,16-17,19H,4-5,10-15,18H2,1-3H3
InChIKeyLUWKEMBMWFTNJQ-UHFFFAOYSA-N
XLogP5.12
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.66
LogP ≤ 55.12
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-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 90400963) is 2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(C3CC3)ccc21.
What is the InChIKey of 2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is LUWKEMBMWFTNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2Si/c1-32(2,3)15-14-31-18-29-23-7-6-20(19-4-5-19)16-22(23)25(27-29)21-8-9-26-24(17-21)28-10-12-30-13-11-28/h6-9,16-17,19H,4-5,10-15,18H2,1-3H3.
What are the key properties of 2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 450.66 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyclopropyl-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90400963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).