2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[6-(1-methylimidazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;tributyl-(1-methylimidazol-4-yl)stannane;trimethyl-[2-[[5-(1-methylimidazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane

C85H116BrN17O5Si2Sn — CID 159483964

IUPAC2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[6-(1-methylimidazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;tributyl-(1-methylimidazol-4-yl)stannane;trimethyl-[2-[[5-(1-methylimidazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(C)cn1.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)ccc21.Cn1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)c1.Cn1cnc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C26H34N6O2Si.C22H29BrN4O2Si.C21H21N5O.C4H5N2.3C4H9.Sn/c1-30-17-23(28-18-30)20-5-6-24-22(15-20)26(29-32(24)19-34-13-14-35(2,3)4)21-7-8-27-25(16-21)31-9-11-33-12-10-31;1-30(2,3)13-12-29-16-27-20-5-4-18(23)15-19(20)22(25-27)17-6-7-24-21(14-17)26-8-10-28-11-9-26;1-25-13-19(24-14-25)15-2-3-17-12-23-21(18(17)10-15)16-4-5-22-20(11-16)26-6-8-27-9-7-26;1-6-3-2-5-4-6;3*1-3-4-2;/h5-8,15-18H,9-14,19H2,1-4H3;4-7,14-15H,8-13,16H2,1-3H3;2-5,10-11,13-14H,6-9,12H2,1H3;3-4H,1H3;3*1,3-4H2,2H3;
InChIKeyLXISXYAVWBKJIV-UHFFFAOYSA-N
MW1710.76 g/mol
LogP16.80
Rot. Bonds28

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

2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[6-(1-methylimidazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;tributyl-(1-methylimidazol-4-yl)stannane;trimethyl-[2-[[5-(1-methylimidazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane (PubChem CID 159483964) has the molecular formula C85H116BrN17O5Si2Sn and a molecular weight of 1710.76 g/mol. Its IUPAC name is 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[6-(1-methylimidazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;tributyl-(1-methylimidazol-4-yl)stannane;trimethyl-[2-[[5-(1-methylimidazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Name2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[6-(1-methylimidazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;tributyl-(1-methylimidazol-4-yl)stannane;trimethyl-[2-[[5-(1-methylimidazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane
PubChem CID159483964
Molecular FormulaC85H116BrN17O5Si2Sn
Molecular Weight1710.76 g/mol
Exact Mass1709.71
IUPAC Name2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[6-(1-methylimidazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;tributyl-(1-methylimidazol-4-yl)stannane;trimethyl-[2-[[5-(1-methylimidazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(C)cn1.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)ccc21.Cn1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)c1.Cn1cnc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C26H34N6O2Si.C22H29BrN4O2Si.C21H21N5O.C4H5N2.3C4H9.Sn/c1-30-17-23(28-18-30)20-5-6-24-22(15-20)26(29-32(24)19-34-13-14-35(2,3)4)21-7-8-27-25(16-21)31-9-11-33-12-10-31;1-30(2,3)13-12-29-16-27-20-5-4-18(23)15-19(20)22(25-27)17-6-7-24-21(14-17)26-8-10-28-11-9-26;1-25-13-19(24-14-25)15-2-3-17-12-23-21(18(17)10-15)16-4-5-22-20(11-16)26-6-8-27-9-7-26;1-6-3-2-5-4-6;3*1-3-4-2;/h5-8,15-18H,9-14,19H2,1-4H3;4-7,14-15H,8-13,16H2,1-3H3;2-5,10-11,13-14H,6-9,12H2,1H3;3-4H,1H3;3*1,3-4H2,2H3;
InChIKeyLXISXYAVWBKJIV-UHFFFAOYSA-N
XLogP16.80
TPSA196.00 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms111
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001710.76
LogP ≤ 516.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[6-(1-methylimidazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;tributyl-(1-methylimidazol-4-yl)stannane;trimethyl-[2-[[5-(1-methylimidazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[6-(1-methylimidazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;tributyl-(1-methylimidazol-4-yl)stannane;trimethyl-[2-[[5-(1-methylimidazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane (CID 159483964) is 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[6-(1-methylimidazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;tributyl-(1-methylimidazol-4-yl)stannane;trimethyl-[2-[[5-(1-methylimidazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[6-(1-methylimidazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;tributyl-(1-methylimidazol-4-yl)stannane;trimethyl-[2-[[5-(1-methylimidazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[6-(1-methylimidazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;tributyl-(1-methylimidazol-4-yl)stannane;trimethyl-[2-[[5-(1-methylimidazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane is CCCC[Sn](CCCC)(CCCC)c1cn(C)cn1.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)ccc21.Cn1cnc(-c2ccc3c(c2)C(c2ccnc(N4CCOCC4)c2)=NC3)c1.Cn1cnc(-c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)c1.
What is the InChIKey of 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[6-(1-methylimidazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;tributyl-(1-methylimidazol-4-yl)stannane;trimethyl-[2-[[5-(1-methylimidazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is LXISXYAVWBKJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2Si.C22H29BrN4O2Si.C21H21N5O.C4H5N2.3C4H9.Sn/c1-30-17-23(28-18-30)20-5-6-24-22(15-20)26(29-32(24)19-34-13-14-35(2,3)4)21-7-8-27-25(16-21)31-9-11-33-12-10-31;1-30(2,3)13-12-29-16-27-20-5-4-18(23)15-19(20)22(25-27)17-6-7-24-21(14-17)26-8-10-28-11-9-26;1-25-13-19(24-14-25)15-2-3-17-12-23-21(18(17)10-15)16-4-5-22-20(11-16)26-6-8-27-9-7-26;1-6-3-2-5-4-6;3*1-3-4-2;/h5-8,15-18H,9-14,19H2,1-4H3;4-7,14-15H,8-13,16H2,1-3H3;2-5,10-11,13-14H,6-9,12H2,1H3;3-4H,1H3;3*1,3-4H2,2H3;.
What are the key properties of 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[6-(1-methylimidazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;tributyl-(1-methylimidazol-4-yl)stannane;trimethyl-[2-[[5-(1-methylimidazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane?
2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[6-(1-methylimidazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;tributyl-(1-methylimidazol-4-yl)stannane;trimethyl-[2-[[5-(1-methylimidazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 1710.76 g/mol, XLogP of 16.80, 28 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-[6-(1-methylimidazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;tributyl-(1-methylimidazol-4-yl)stannane;trimethyl-[2-[[5-(1-methylimidazol-4-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 159483964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).