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

C39H45Br2N7O3Si — CID 161033770

IUPAC4-[4-(6-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESBrc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)ccc21
InChIInChI=1S/C22H29BrN4O2Si.C17H16BrN3O/c1-30(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;18-14-2-1-13-11-20-17(15(13)10-14)12-3-4-19-16(9-12)21-5-7-22-8-6-21/h4-7,14-15H,8-13,16H2,1-3H3;1-4,9-10H,5-8,11H2
InChIKeyTZZAXVNATVSJHV-UHFFFAOYSA-N
MW847.73 g/mol
LogP8.04
Rot. Bonds9

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

4-[4-(6-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 161033770) has the molecular formula C39H45Br2N7O3Si and a molecular weight of 847.73 g/mol. Its IUPAC name is 4-[4-(6-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name4-[4-(6-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID161033770
Molecular FormulaC39H45Br2N7O3Si
Molecular Weight847.73 g/mol
Exact Mass845.17
IUPAC Name4-[4-(6-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESBrc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)ccc21
InChIInChI=1S/C22H29BrN4O2Si.C17H16BrN3O/c1-30(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;18-14-2-1-13-11-20-17(15(13)10-14)12-3-4-19-16(9-12)21-5-7-22-8-6-21/h4-7,14-15H,8-13,16H2,1-3H3;1-4,9-10H,5-8,11H2
InChIKeyTZZAXVNATVSJHV-UHFFFAOYSA-N
XLogP8.04
TPSA90.13 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.73
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

4-[4-(5-Bromo-6-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
CID 90400757
2-[[5-Bromo-3-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 90401042
4-[4-(5-Bromo-7-fluoro-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
CID 118077559
4-[4-(5-Bromo-6-fluoro-1-methylindazol-3-yl)-2-pyridinyl]morpholine
CID 118651848
[5-Bromo-6-fluoro-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]thallium
CID 144697465
6-bromo-5-morpholino-3-(quinolin-3-yl)-N,N-bis((2-(trimethylsilyl)ethoxy)methyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 66733274
6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis[2-(2-trimethylsilylethoxy)butan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 66746117
4-(3-Benzyl-8-bromopyrazolo[5,4-c]quinolin-4-yl)morpholine
CID 67075941
4-(4-(1-((2-(Trimethylsilyl)ethoxy)methyl)-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 90391041
5-Bromo-3-[2-(4-morpholinyl)-4-pyridinyl]-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-indazole
CID 90391107
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 4-[4-(6-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 161033770) is 4-[4-(6-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 4-[4-(6-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 4-[4-(6-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is Brc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(Br)ccc21.
What is the InChIKey of 4-[4-(6-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is TZZAXVNATVSJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29BrN4O2Si.C17H16BrN3O/c1-30(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;18-14-2-1-13-11-20-17(15(13)10-14)12-3-4-19-16(9-12)21-5-7-22-8-6-21/h4-7,14-15H,8-13,16H2,1-3H3;1-4,9-10H,5-8,11H2.
What are the key properties of 4-[4-(6-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?
4-[4-(6-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 847.73 g/mol, XLogP of 8.04, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;2-[[5-bromo-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 161033770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).