5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one

C27H33N5O3Si — CID 90391087

IUPAC5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ccc(=O)[nH]c3)ccc21
InChIInChI=1S/C27H33N5O3Si/c1-36(2,3)15-14-35-19-32-24-6-4-20(22-5-7-26(33)29-18-22)16-23(24)27(30-32)21-8-9-28-25(17-21)31-10-12-34-13-11-31/h4-9,16-18H,10-15,19H2,1-3H3,(H,29,33)
InChIKeyINFNTDTZXZXRAQ-UHFFFAOYSA-N
MW503.68 g/mol
LogP4.60
Rot. Bonds8

About 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one

5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one (PubChem CID 90391087) has the molecular formula C27H33N5O3Si and a molecular weight of 503.68 g/mol. Its IUPAC name is 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one
PubChem CID90391087
Molecular FormulaC27H33N5O3Si
Molecular Weight503.68 g/mol
Exact Mass503.24
IUPAC Name5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ccc(=O)[nH]c3)ccc21
InChIInChI=1S/C27H33N5O3Si/c1-36(2,3)15-14-35-19-32-24-6-4-20(22-5-7-26(33)29-18-22)16-23(24)27(30-32)21-8-9-28-25(17-21)31-10-12-34-13-11-31/h4-9,16-18H,10-15,19H2,1-3H3,(H,29,33)
InChIKeyINFNTDTZXZXRAQ-UHFFFAOYSA-N
XLogP4.60
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.68
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate
CID 90400955
4-[4-[1-(2-methylsulfanylethoxymethyl)-5-methylsulfonylindazol-3-yl]-2-pyridinyl]morpholine
CID 90400751
3-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[4,3-c]pyridin-6-one
CID 140850879
2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]propan-2-ol;2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol
CID 159876737
3-(2-morpholin-4-yl-4-pyridinyl)-1,6-dihydropyrazolo[3,4-c]pyridin-5-one
CID 144795365
(3E)-5-methoxy-3-[[3-(6-morpholin-4-yl-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-2-one
CID 66734145
trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
CID 22352427
3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
CID 90391052
1-methyl-4-[4-[1-methyl-5-(oxetan-3-yloxy)indazol-3-yl]-2-pyridinyl]piperazin-2-one
CID 163613557
5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
CID 58540680
2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 175867784
2-methyl-1-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]oxy]propan-2-ol
CID 90400992

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one (CID 90391087) is 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one is C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ccc(=O)[nH]c3)ccc21.
What is the InChIKey of 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one?
The InChIKey is INFNTDTZXZXRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3Si/c1-36(2,3)15-14-35-19-32-24-6-4-20(22-5-7-26(33)29-18-22)16-23(24)27(30-32)21-8-9-28-25(17-21)31-10-12-34-13-11-31/h4-9,16-18H,10-15,19H2,1-3H3,(H,29,33).
What are the key properties of 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one?
5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one has a molecular weight of 503.68 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 90391087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).