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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol

C52H74N8O7Si2 — CID 157085997

IUPACethyl 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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol
SMILESCC(C)(O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C.CCOC(=O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C26H36N4O4Si.C26H38N4O3Si/c1-5-34-25(31)17-20-6-7-23-22(16-20)26(28-30(23)19-33-14-15-35(2,3)4)21-8-9-27-24(18-21)29-10-12-32-13-11-29;1-26(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/h6-9,16,18H,5,10-15,17,19H2,1-4H3;6-9,16-17,31H,10-15,18-19H2,1-5H3
InChIKeyAECAQNNGJRMOQA-UHFFFAOYSA-N
MW979.38 g/mol
LogP8.91
Rot. Bonds19

About 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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol

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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol (PubChem CID 157085997) has the molecular formula C52H74N8O7Si2 and a molecular weight of 979.38 g/mol. Its IUPAC name is 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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol.

Molecular Properties

Compound Nameethyl 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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol
PubChem CID157085997
Molecular FormulaC52H74N8O7Si2
Molecular Weight979.38 g/mol
Exact Mass978.52
IUPAC Nameethyl 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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol
SMILESCC(C)(O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C.CCOC(=O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C26H36N4O4Si.C26H38N4O3Si/c1-5-34-25(31)17-20-6-7-23-22(16-20)26(28-30(23)19-33-14-15-35(2,3)4)21-8-9-27-24(18-21)29-10-12-32-13-11-29;1-26(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/h6-9,16,18H,5,10-15,17,19H2,1-4H3;6-9,16-17,31H,10-15,18-19H2,1-5H3
InChIKeyAECAQNNGJRMOQA-UHFFFAOYSA-N
XLogP8.91
TPSA151.35 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500979.38
LogP ≤ 58.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol with MolForge

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Related Compounds

2-[4-(8-Fluoro-5,5-dimethyl-2,3,4,4a-tetrahydrochromen-6-yl)-1,6-dimethyl-2-[6-(1-methylindazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid
CID 123673636
tert-butyl 4-[(3S)-1-[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]pyrrolidin-3-yl]butanoate
CID 167036555
2-Methyl-1-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol
CID 90400738
2-[[3,5-Bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 90400953
Ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate
CID 90400955
2-[3-(2-Morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol
CID 90400957
2-[3-[7-[Bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid
CID 123258978
2-[4-[[7-[Bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid
CID 123352548
2-Methylpropan-2-ol;2-[1,4,6-trimethyl-2-[2-(1-methylindazol-5-yl)-4-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid
CID 145699028
Ethane;2-[1-ethyl-6-methyl-2-[2-(1-methylindazol-5-yl)-4-pyridinyl]-4-phenylpyrrolo[2,3-b]pyridin-5-yl]acetic acid;2-methylpropan-2-ol
CID 145699162
2-[1,6-Dimethyl-2-[2-(1-methylindazol-5-yl)-4-pyridinyl]-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]acetic acid;2-methylpropan-2-ol
CID 145699164
Ethyl 2-[3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;ethyl 2-[3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;quinolin-3-ylboronic acid
CID 157107671

Frequently Asked Questions

What is the IUPAC name of 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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol?
The IUPAC name of 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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol (CID 157085997) is 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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol.
What is the SMILES notation for 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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol?
The canonical SMILES for 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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol is CC(C)(O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C.CCOC(=O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C.
What is the InChIKey of 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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol?
The InChIKey is AECAQNNGJRMOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4Si.C26H38N4O3Si/c1-5-34-25(31)17-20-6-7-23-22(16-20)26(28-30(23)19-33-14-15-35(2,3)4)21-8-9-27-24(18-21)29-10-12-32-13-11-29;1-26(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/h6-9,16,18H,5,10-15,17,19H2,1-4H3;6-9,16-17,31H,10-15,18-19H2,1-5H3.
What are the key properties of 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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol?
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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol has a molecular weight of 979.38 g/mol, XLogP of 8.91, 19 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]propan-2-ol is sourced from PubChem (CID 157085997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).