2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol

C26H38N4O3Si — CID 90400738

IUPAC2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol
SMILESCC(C)(O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C26H38N4O3Si/c1-26(2,31)18-20-6-7-23-22(16-20)25(28-30(23)19-33-14-15-34(3,4)5)21-8-9-27-24(17-21)29-10-12-32-13-11-29/h6-9,16-17,31H,10-15,18-19H2,1-5H3
InChIKeyHEKPXVHRTOKTQZ-UHFFFAOYSA-N
MW482.70 g/mol
LogP4.56
Rot. Bonds9

About 2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol

2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol (PubChem CID 90400738) has the molecular formula C26H38N4O3Si and a molecular weight of 482.70 g/mol. Its IUPAC name is 2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol
PubChem CID90400738
Molecular FormulaC26H38N4O3Si
Molecular Weight482.70 g/mol
Exact Mass482.27
IUPAC Name2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol
SMILESCC(C)(O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C26H38N4O3Si/c1-26(2,31)18-20-6-7-23-22(16-20)25(28-30(23)19-33-14-15-34(3,4)5)21-8-9-27-24(17-21)29-10-12-32-13-11-29/h6-9,16-17,31H,10-15,18-19H2,1-5H3
InChIKeyHEKPXVHRTOKTQZ-UHFFFAOYSA-N
XLogP4.56
TPSA72.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.70
LogP ≤ 54.56
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 2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol (CID 90400738) is 2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol is CC(C)(O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C.
What is the InChIKey of 2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol?
The InChIKey is HEKPXVHRTOKTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3Si/c1-26(2,31)18-20-6-7-23-22(16-20)25(28-30(23)19-33-14-15-34(3,4)5)21-8-9-27-24(17-21)29-10-12-32-13-11-29/h6-9,16-17,31H,10-15,18-19H2,1-5H3.
What are the key properties of 2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol?
2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol has a molecular weight of 482.70 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol is sourced from PubChem (CID 90400738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).