2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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

C58H74BCl3N12O6Si2 — CID 161428288

IUPAC2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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
SMILESCC1(C)OB(c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ncc(Cl)cn3)ccc21.Clc1cnc(Cl)nc1
InChIInChI=1S/C28H41BN4O4Si.C26H31ClN6O2Si.C4H2Cl2N2/c1-27(2)28(3,4)37-29(36-27)22-8-9-24-23(19-22)26(31-33(24)20-35-16-17-38(5,6)7)21-10-11-30-25(18-21)32-12-14-34-15-13-32;1-36(2,3)13-12-35-18-33-23-5-4-20(26-29-16-21(27)17-30-26)14-22(23)25(31-33)19-6-7-28-24(15-19)32-8-10-34-11-9-32;5-3-1-7-4(6)8-2-3/h8-11,18-19H,12-17,20H2,1-7H3;4-7,14-17H,8-13,18H2,1-3H3;1-2H
InChIKeyVXQZHPUWQOTDEW-UHFFFAOYSA-N
MW1208.65 g/mol
LogP11.69
Rot. Bonds16

About 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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

2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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 (PubChem CID 161428288) has the molecular formula C58H74BCl3N12O6Si2 and a molecular weight of 1208.65 g/mol. Its IUPAC name is 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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.

Molecular Properties

Compound Name2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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
PubChem CID161428288
Molecular FormulaC58H74BCl3N12O6Si2
Molecular Weight1208.65 g/mol
Exact Mass1206.46
IUPAC Name2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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
SMILESCC1(C)OB(c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ncc(Cl)cn3)ccc21.Clc1cnc(Cl)nc1
InChIInChI=1S/C28H41BN4O4Si.C26H31ClN6O2Si.C4H2Cl2N2/c1-27(2)28(3,4)37-29(36-27)22-8-9-24-23(19-22)26(31-33(24)20-35-16-17-38(5,6)7)21-10-11-30-25(18-21)32-12-14-34-15-13-32;1-36(2,3)13-12-35-18-33-23-5-4-20(26-29-16-21(27)17-30-26)14-22(23)25(31-33)19-6-7-28-24(15-19)32-8-10-34-11-9-32;5-3-1-7-4(6)8-2-3/h8-11,18-19H,12-17,20H2,1-7H3;4-7,14-17H,8-13,18H2,1-3H3;1-2H
InChIKeyVXQZHPUWQOTDEW-UHFFFAOYSA-N
XLogP11.69
TPSA174.84 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001208.65
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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 with MolForge

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Related Compounds

2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,4-difluoropiperidine;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-methylindazol-2-yl]methoxy]ethyl-trimethylsilane;2-[[3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;3-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-pyridin-3-yl-1H-isoindole;pyridin-3-ylboronic acid;hydrochloride
CID 158089964
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
2-[[5-(5-Ethylpyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 90400842
2-[[3,5-Bis(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 90400953
2-[[5-(5-Chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 90401061
5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane
CID 157069502
4-[6-(6-Methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine
CID 157172460
5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-chloro-3-iodo-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 157270900
4-[4-(2-chloro-5H-pyrrolo[3,4-d]pyrimidin-7-yl)-2-pyridinyl]morpholine;4-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[3,4-d]pyrimidin-7-yl]-2-pyridinyl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 157493563

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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?
The IUPAC name of 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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 161428288) is 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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.
What is the SMILES notation for 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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?
The canonical SMILES for 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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 is CC1(C)OB(c2ccc3c(c2)c(-c2ccnc(N4CCOCC4)c2)nn3COCC[Si](C)(C)C)OC1(C)C.C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3ncc(Cl)cn3)ccc21.Clc1cnc(Cl)nc1.
What is the InChIKey of 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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?
The InChIKey is VXQZHPUWQOTDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41BN4O4Si.C26H31ClN6O2Si.C4H2Cl2N2/c1-27(2)28(3,4)37-29(36-27)22-8-9-24-23(19-22)26(31-33(24)20-35-16-17-38(5,6)7)21-10-11-30-25(18-21)32-12-14-34-15-13-32;1-36(2,3)13-12-35-18-33-23-5-4-20(26-29-16-21(27)17-30-26)14-22(23)25(31-33)19-6-7-28-24(15-19)32-8-10-34-11-9-32;5-3-1-7-4(6)8-2-3/h8-11,18-19H,12-17,20H2,1-7H3;4-7,14-17H,8-13,18H2,1-3H3;1-2H.
What are the key properties of 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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?
2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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 has a molecular weight of 1208.65 g/mol, XLogP of 11.69, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-chloropyrimidin-2-yl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane;2,5-dichloropyrimidine;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 is sourced from PubChem (CID 161428288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).