4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane

C45H53N13O3Si — CID 158375251

IUPAC4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane
SMILESCn1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)nn1.Cn1cc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)nn1
InChIInChI=1S/C25H33N7O2Si.C20H20N6O/c1-30-17-22(27-29-30)19-5-6-23-21(15-19)25(28-32(23)18-34-13-14-35(2,3)4)20-7-8-26-24(16-20)31-9-11-33-12-10-31;1-25-13-18(23-24-25)14-2-3-16-12-22-20(17(16)10-14)15-4-5-21-19(11-15)26-6-8-27-9-7-26/h5-8,15-17H,9-14,18H2,1-4H3;2-5,10-11,13H,6-9,12H2,1H3
InChIKeyGVCKYKRNYVNLRJ-UHFFFAOYSA-N
MW852.09 g/mol
LogP6.11
Rot. Bonds11

About 4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane

4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane (PubChem CID 158375251) has the molecular formula C45H53N13O3Si and a molecular weight of 852.09 g/mol. Its IUPAC name is 4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Name4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane
PubChem CID158375251
Molecular FormulaC45H53N13O3Si
Molecular Weight852.09 g/mol
Exact Mass851.42
IUPAC Name4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane
SMILESCn1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)nn1.Cn1cc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)nn1
InChIInChI=1S/C25H33N7O2Si.C20H20N6O/c1-30-17-22(27-29-30)19-5-6-23-21(15-19)25(28-32(23)18-34-13-14-35(2,3)4)20-7-8-26-24(16-20)31-9-11-33-12-10-31;1-25-13-18(23-24-25)14-2-3-16-12-22-20(17(16)10-14)15-4-5-21-19(11-15)26-6-8-27-9-7-26/h5-8,15-17H,9-14,18H2,1-4H3;2-5,10-11,13H,6-9,12H2,1H3
InChIKeyGVCKYKRNYVNLRJ-UHFFFAOYSA-N
XLogP6.11
TPSA151.55 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500852.09
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane with MolForge

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Related Compounds

4-[5-[1-[(1S)-1-phenylethyl]triazolo[4,5-c]quinolin-8-yl]-2-pyridinyl]morpholine
CID 155567611
2-[[3-[6-(4,4-Difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane
CID 90398677
2-methyl-N-[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]-7-[1-methyl-6-[2-morpholin-4-yl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]anilino]pyrimidin-4-yl]indazol-3-yl]indazol-5-amine
CID 129022756
2-[[7-(4-fluoro-2-methylindazol-5-yl)-3-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 159662293
2-[[6-(2-Ethyl-5-fluoro-4-methylphenyl)-3-[5-(pyrazin-2-ylmethyl)-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164013426
4-[4-[7-[1-(1-Ethylpiperidin-4-yl)pyrazol-4-yl]-5-methylpyrrolo[2,3-b]pyrazin-2-yl]-2-fluoro-6-methylphenyl]morpholine
CID 170064666
4-[3-[5-[3-[2-[(2R)-2-fluoro-2-phenylethyl]indazol-4-yl]-5-methyl-4-propan-2-ylpyrazol-1-yl]-6-methylpyrazolo[3,4-b]pyridin-2-yl]propyl]morpholine
CID 171533811
tert-butyl-[3-[4-[8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[3-(2H-triazol-4-yl)piperidin-1-yl]pyrido[4,3-d]pyrimidin-7-yl]-6-methyl-1-(oxan-2-yl)indazol-5-yl]propoxy]-dimethylsilane
CID 171613709
31-fluoro-25-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-9-methyl-6-(oxan-2-yl)-5,6,14,15,22,24,26,30,33-nonazaheptacyclo[25.3.1.114,17.118,22.02,10.03,7.023,28]tritriaconta-1(30),2(10),3(7),4,8,15,17(33),23,25,27(31),28-undecaene
CID 172143114
2-[[5-(3,5-Difluorophenyl)-3-[6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176219809
2-Methyl-2-[4-[3-methyl-8-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[3,4-c]quinolin-1-yl]phenyl]propanenitrile
CID 58412522
4-[2-[4-[3-(Quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine
CID 58514855

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of 4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane (CID 158375251) is 4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for 4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for 4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane is Cn1cc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)nn1.Cn1cc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)nn1.
What is the InChIKey of 4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is GVCKYKRNYVNLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2Si.C20H20N6O/c1-30-17-22(27-29-30)19-5-6-23-21(15-19)25(28-32(23)18-34-13-14-35(2,3)4)20-7-8-26-24(16-20)31-9-11-33-12-10-31;1-25-13-18(23-24-25)14-2-3-16-12-22-20(17(16)10-14)15-4-5-21-19(11-15)26-6-8-27-9-7-26/h5-8,15-17H,9-14,18H2,1-4H3;2-5,10-11,13H,6-9,12H2,1H3.
What are the key properties of 4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane?
4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 852.09 g/mol, XLogP of 6.11, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(1-methyltriazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;trimethyl-[2-[[5-(1-methyltriazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 158375251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).