ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol

C69H91N11O9Si2 — CID 159370644

IUPACethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol
SMILESCCOC(=O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(CCO)ccc21.OCCc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2
InChIInChI=1S/C26H36N4O4Si.C24H34N4O3Si.C19H21N3O2/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;1-32(2,3)15-14-31-18-28-22-5-4-19(7-11-29)16-21(22)24(26-28)20-6-8-25-23(17-20)27-9-12-30-13-10-27;23-8-4-14-1-2-16-13-21-19(17(16)11-14)15-3-5-20-18(12-15)22-6-9-24-10-7-22/h6-9,16,18H,5,10-15,17,19H2,1-4H3;4-6,8,16-17,29H,7,9-15,18H2,1-3H3;1-3,5,11-12,23H,4,6-10,13H2
InChIKeyLJRSQNBKABGMMQ-UHFFFAOYSA-N
MW1274.73 g/mol
LogP9.94
Rot. Bonds23

About ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol

ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol (PubChem CID 159370644) has the molecular formula C69H91N11O9Si2 and a molecular weight of 1274.73 g/mol. Its IUPAC name is ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol.

Molecular Properties

Compound Nameethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol
PubChem CID159370644
Molecular FormulaC69H91N11O9Si2
Molecular Weight1274.73 g/mol
Exact Mass1273.65
IUPAC Nameethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol
SMILESCCOC(=O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(CCO)ccc21.OCCc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2
InChIInChI=1S/C26H36N4O4Si.C24H34N4O3Si.C19H21N3O2/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;1-32(2,3)15-14-31-18-28-22-5-4-19(7-11-29)16-21(22)24(26-28)20-6-8-25-23(17-20)27-9-12-30-13-10-27;23-8-4-14-1-2-16-13-21-19(17(16)11-14)15-3-5-20-18(12-15)22-6-9-24-10-7-22/h6-9,16,18H,5,10-15,17,19H2,1-4H3;4-6,8,16-17,29H,7,9-15,18H2,1-3H3;1-3,5,11-12,23H,4,6-10,13H2
InChIKeyLJRSQNBKABGMMQ-UHFFFAOYSA-N
XLogP9.94
TPSA209.30 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001274.73
LogP ≤ 59.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[1-[7-[5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-methyl-1-(oxan-2-yl)indazol-4-yl]-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperidin-3-yl]acetic acid
CID 177756321
Ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate
CID 90400955
2-[4-[[7-[Bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid
CID 123352548
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
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
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
CID 157810054
4-[6-[6-(2-methylpropyl)-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine;molecular hydrogen;trimethyl-[2-[[5-(2-methylprop-1-enyl)-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-(2-methylpropyl)-3-(6-morpholin-4-ylpyrimidin-4-yl)indazol-2-yl]methoxy]ethyl]silane;hydrochloride
CID 157900342
4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;ditert-butyl (2S,5S)-5-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate
CID 158003264
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 158137606
2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158367773
Ethyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylcyclohexane-1-carboxylate;ethyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylcyclohex-3-ene-1-carboxylate
CID 159245735
ethyl 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]piperidine-4-carboxylate;1-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 159477109

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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol?
The IUPAC name of ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol (CID 159370644) is ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol.
What is the SMILES notation for ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol?
The canonical SMILES for ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol is CCOC(=O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(CCO)ccc21.OCCc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.
What is the InChIKey of ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol?
The InChIKey is LJRSQNBKABGMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4Si.C24H34N4O3Si.C19H21N3O2/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;1-32(2,3)15-14-31-18-28-22-5-4-19(7-11-29)16-21(22)24(26-28)20-6-8-25-23(17-20)27-9-12-30-13-10-27;23-8-4-14-1-2-16-13-21-19(17(16)11-14)15-3-5-20-18(12-15)22-6-9-24-10-7-22/h6-9,16,18H,5,10-15,17,19H2,1-4H3;4-6,8,16-17,29H,7,9-15,18H2,1-3H3;1-3,5,11-12,23H,4,6-10,13H2.
What are the key properties of ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol?
ethyl 2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]acetate;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol has a molecular weight of 1274.73 g/mol, XLogP of 9.94, 23 rotatable bonds, 2 hydrogen bond donors, and 20 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-[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]ethanol;2-[3-(2-morpholin-4-yl-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol is sourced from PubChem (CID 159370644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).