tert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C132H210B2BrCl3N12O22Si3 — CID 159380573

IUPACtert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)c1cnn2c(N(C)C3CCOCC3)cc(Cl)nc12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCC(COc1cc(OC)cc(-c2cc(C(C)C3CCOCC3)n3ncc(C(C)C)c3n2)c1)O[Si](C)(C)C(C)(C)C.CCCC(O)COc1cc(OC)cc(-c2cc(C(C)C3CCOCC3)n3ncc(C(C)C)c3n2)c1.CN(CC(COc1cc(Cl)cc(Br)c1)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.COc1cc(Cl)cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C34H53N3O4Si.C28H39N3O4.C22H38ClNO5Si.C21H35BrClNO4Si.C15H21ClN4O.C12H24B2O4/c1-11-12-27(41-42(9,10)34(5,6)7)22-40-29-18-26(17-28(19-29)38-8)31-20-32(24(4)25-13-15-39-16-14-25)37-33(36-31)30(21-35-37)23(2)3;1-6-7-22(32)17-35-24-13-21(12-23(14-24)33-5)26-15-27(19(4)20-8-10-34-11-9-20)31-28(30-26)25(16-29-31)18(2)3;1-21(2,3)28-20(25)24(7)14-19(29-30(9,10)22(4,5)6)15-27-18-12-16(23)11-17(13-18)26-8;1-20(2,3)27-19(25)24(7)13-18(28-29(8,9)21(4,5)6)14-26-17-11-15(22)10-16(23)12-17;1-10(2)12-9-17-20-14(8-13(16)18-15(12)20)19(3)11-4-6-21-7-5-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h17-21,23-25,27H,11-16,22H2,1-10H3;12-16,18-20,22,32H,6-11,17H2,1-5H3;11-13,19H,14-15H2,1-10H3;10-12,18H,13-14H2,1-9H3;8-11H,4-7H2,1-3H3;1-8H3
InChIKeyLKVVFBOQTSMYLZ-UHFFFAOYSA-N
MW2609.34 g/mol
LogP32.32
Rot. Bonds41

About tert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

tert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159380573) has the molecular formula C132H210B2BrCl3N12O22Si3 and a molecular weight of 2609.34 g/mol. Its IUPAC name is tert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Nametert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID159380573
Molecular FormulaC132H210B2BrCl3N12O22Si3
Molecular Weight2609.34 g/mol
Exact Mass2605.34
IUPAC Nametert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)c1cnn2c(N(C)C3CCOCC3)cc(Cl)nc12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCC(COc1cc(OC)cc(-c2cc(C(C)C3CCOCC3)n3ncc(C(C)C)c3n2)c1)O[Si](C)(C)C(C)(C)C.CCCC(O)COc1cc(OC)cc(-c2cc(C(C)C3CCOCC3)n3ncc(C(C)C)c3n2)c1.CN(CC(COc1cc(Cl)cc(Br)c1)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.COc1cc(Cl)cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C34H53N3O4Si.C28H39N3O4.C22H38ClNO5Si.C21H35BrClNO4Si.C15H21ClN4O.C12H24B2O4/c1-11-12-27(41-42(9,10)34(5,6)7)22-40-29-18-26(17-28(19-29)38-8)31-20-32(24(4)25-13-15-39-16-14-25)37-33(36-31)30(21-35-37)23(2)3;1-6-7-22(32)17-35-24-13-21(12-23(14-24)33-5)26-15-27(19(4)20-8-10-34-11-9-20)31-28(30-26)25(16-29-31)18(2)3;1-21(2,3)28-20(25)24(7)14-19(29-30(9,10)22(4,5)6)15-27-18-12-16(23)11-17(13-18)26-8;1-20(2,3)27-19(25)24(7)13-18(28-29(8,9)21(4,5)6)14-26-17-11-15(22)10-16(23)12-17;1-10(2)12-9-17-20-14(8-13(16)18-15(12)20)19(3)11-4-6-21-7-5-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h17-21,23-25,27H,11-16,22H2,1-10H3;12-16,18-20,22,32H,6-11,17H2,1-5H3;11-13,19H,14-15H2,1-10H3;10-12,18H,13-14H2,1-9H3;8-11H,4-7H2,1-3H3;1-8H3
InChIKeyLKVVFBOQTSMYLZ-UHFFFAOYSA-N
XLogP32.32
TPSA330.03 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds41
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002609.34
LogP ≤ 532.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]-N-methylcarbamate;7-chloro-3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidine;5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-[3-methoxy-5-[3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]pentan-2-ol;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 161124361
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate
CID 90425862
1-[3-chloro-5-[3-cyclopropyl-7-[methyl(oxan-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 123251753
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate
CID 90425016
1-[3-methoxy-5-[7-[2-methoxyethyl(methyl)amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 123742175
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-formyl-6-(oxan-4-ylamino)pyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate
CID 90425484
1-[3-methoxy-5-[7-(6-methyl-3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 123712366
1-[3-[3-[1-[4-[[5-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]oxolan-2-yl]propan-2-yl]-7-[methyl(oxolan-3-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 123756655
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-fluorophenoxy]propyl]-N-methylcarbamate
CID 174113367
1-[3-chloro-5-[7-(5-oxa-8-azatricyclo[4.3.0.01,4]nonan-8-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 130278486
(1-phenylmethoxycarbonylpyrrolidin-3-yl) 4-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 171798413
tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonyl-[5-(oxan-4-ylmethylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
CID 171798673

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of tert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159380573) is tert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for tert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for tert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)c1cnn2c(N(C)C3CCOCC3)cc(Cl)nc12.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCCC(COc1cc(OC)cc(-c2cc(C(C)C3CCOCC3)n3ncc(C(C)C)c3n2)c1)O[Si](C)(C)C(C)(C)C.CCCC(O)COc1cc(OC)cc(-c2cc(C(C)C3CCOCC3)n3ncc(C(C)C)c3n2)c1.CN(CC(COc1cc(Cl)cc(Br)c1)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.COc1cc(Cl)cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is LKVVFBOQTSMYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53N3O4Si.C28H39N3O4.C22H38ClNO5Si.C21H35BrClNO4Si.C15H21ClN4O.C12H24B2O4/c1-11-12-27(41-42(9,10)34(5,6)7)22-40-29-18-26(17-28(19-29)38-8)31-20-32(24(4)25-13-15-39-16-14-25)37-33(36-31)30(21-35-37)23(2)3;1-6-7-22(32)17-35-24-13-21(12-23(14-24)33-5)26-15-27(19(4)20-8-10-34-11-9-20)31-28(30-26)25(16-29-31)18(2)3;1-21(2,3)28-20(25)24(7)14-19(29-30(9,10)22(4,5)6)15-27-18-12-16(23)11-17(13-18)26-8;1-20(2,3)27-19(25)24(7)13-18(28-29(8,9)21(4,5)6)14-26-17-11-15(22)10-16(23)12-17;1-10(2)12-9-17-20-14(8-13(16)18-15(12)20)19(3)11-4-6-21-7-5-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h17-21,23-25,27H,11-16,22H2,1-10H3;12-16,18-20,22,32H,6-11,17H2,1-5H3;11-13,19H,14-15H2,1-10H3;10-12,18H,13-14H2,1-9H3;8-11H,4-7H2,1-3H3;1-8H3.
What are the key properties of tert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
tert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2609.34 g/mol, XLogP of 32.32, 41 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-bromo-5-chlorophenoxy)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-N-methylcarbamate;tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-(3-chloro-5-methoxyphenoxy)propyl]-N-methylcarbamate;tert-butyl-[1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-yloxy]-dimethylsilane;5-chloro-N-methyl-N-(oxan-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;1-[3-methoxy-5-[7-[1-(oxan-4-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159380573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).