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

C26H31ClN6O2Si — CID 90401061

IUPAC2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ncc(Cl)cn3)ccc21
InChIInChI=1S/C26H31ClN6O2Si/c1-36(2,3)13-12-35-18-33-23-5-4-20(26-29-16-21(27)17-30-26)14-22(23)25(31-33)19-6-7-28-24(15-19)32-8-10-34-11-9-32/h4-7,14-17H,8-13,18H2,1-3H3
InChIKeyVGCMWVJPGAIYCO-UHFFFAOYSA-N
MW523.11 g/mol
LogP5.36
Rot. Bonds8

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

2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90401061) has the molecular formula C26H31ClN6O2Si and a molecular weight of 523.11 g/mol. Its IUPAC name is 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID90401061
Molecular FormulaC26H31ClN6O2Si
Molecular Weight523.11 g/mol
Exact Mass522.20
IUPAC Name2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ncc(Cl)cn3)ccc21
InChIInChI=1S/C26H31ClN6O2Si/c1-36(2,3)13-12-35-18-33-23-5-4-20(26-29-16-21(27)17-30-26)14-22(23)25(31-33)19-6-7-28-24(15-19)32-8-10-34-11-9-32/h4-7,14-17H,8-13,18H2,1-3H3
InChIKeyVGCMWVJPGAIYCO-UHFFFAOYSA-N
XLogP5.36
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.11
LogP ≤ 55.36
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 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 90401061) is 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ncc(Cl)cn3)ccc21.
What is the InChIKey of 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VGCMWVJPGAIYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN6O2Si/c1-36(2,3)13-12-35-18-33-23-5-4-20(26-29-16-21(27)17-30-26)14-22(23)25(31-33)19-6-7-28-24(15-19)32-8-10-34-11-9-32/h4-7,14-17H,8-13,18H2,1-3H3.
What are the key properties of 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 523.11 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90401061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).