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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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).