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

C47H63N7O5Si — CID 158137606

IUPAC2-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
SMILESCC(C)(O)Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.CC(C)(O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C26H38N4O3Si.C21H25N3O2/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;1-21(2,25)13-15-3-4-17-14-23-20(18(17)11-15)16-5-6-22-19(12-16)24-7-9-26-10-8-24/h6-9,16-17,31H,10-15,18-19H2,1-5H3;3-6,11-12,25H,7-10,13-14H2,1-2H3
InChIKeyFTNSLCMGXZIYSJ-UHFFFAOYSA-N
MW834.15 g/mol
LogP7.14
Rot. Bonds13

About 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

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 (PubChem CID 158137606) has the molecular formula C47H63N7O5Si and a molecular weight of 834.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158137606
Molecular FormulaC47H63N7O5Si
Molecular Weight834.15 g/mol
Exact Mass833.47
IUPAC Name2-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
SMILESCC(C)(O)Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.CC(C)(O)Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C26H38N4O3Si.C21H25N3O2/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;1-21(2,25)13-15-3-4-17-14-23-20(18(17)11-15)16-5-6-22-19(12-16)24-7-9-26-10-8-24/h6-9,16-17,31H,10-15,18-19H2,1-5H3;3-6,11-12,25H,7-10,13-14H2,1-2H3
InChIKeyFTNSLCMGXZIYSJ-UHFFFAOYSA-N
XLogP7.14
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500834.15
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

(3R)-1-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-[5,6-dimethyl-1-(oxan-2-yl)indazol-4-yl]-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperidin-3-ol
CID 164534959
8-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)-5-(3,4-difluorophenyl)-6-(2-methoxy-2-methylpropyl)-1-(oxan-2-yl)pyrazolo[4,3-g]isoquinoline
CID 166772101
1-[7-[5-Cyclopropyl-6-methyl-1-(oxan-2-yl)indazol-4-yl]-2-[(1,2-diethylpyrrolidin-2-yl)methoxy]-8-fluoropyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperidin-3-ol
CID 167120107
(3R)-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-ol
CID 171613234
(13E)-30-fluoro-24-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-9-methyl-6-(oxan-2-yl)-5,6,21,23,25,29-hexazahexacyclo[24.3.1.117,21.02,10.03,7.022,27]hentriaconta-1(29),2(10),3(7),4,8,13,22,24,26(30),27-decaen-17-ol
CID 172142934
[1-[5-[1-[3-Fluoro-1-(oxan-4-yl)indazol-5-yl]-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-2-pyridinyl]piperidin-4-yl]methanol
CID 172609773
2-[[5-(3,5-Difluorophenyl)-3-[6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176219809
[1-[5-[[3-Fluoro-1-(oxan-4-yl)indazol-5-yl]-(2,2,6,6-tetramethyloxan-4-ylidene)methyl]-2-pyridinyl]piperidin-4-yl]methanol
CID 178266584
Trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 90391120
Trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-pyridin-2-ylindazol-1-yl]methoxy]ethyl]silane
CID 90391139
Trimethyl-[2-[[3-(2-morpholin-4-yl-4-pyridinyl)-5-pyridin-4-ylindazol-1-yl]methoxy]ethyl]silane
CID 90391152
Trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane
CID 90398871

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(O)Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.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)-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?
The InChIKey is FTNSLCMGXZIYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3Si.C21H25N3O2/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;1-21(2,25)13-15-3-4-17-14-23-20(18(17)11-15)16-5-6-22-19(12-16)24-7-9-26-10-8-24/h6-9,16-17,31H,10-15,18-19H2,1-5H3;3-6,11-12,25H,7-10,13-14H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 834.15 g/mol, XLogP of 7.14, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158137606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).