4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate

C208H290BBr2Cl4F6N31O24Si7 — CID 157058096

IUPAC4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate
SMILESCC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)n2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)c(-c3ccc(C(=O)O)c(F)c3)n2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)c(Br)n2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)c(Br)n2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)cn2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)cn2)C1.COC(=O)c1ccc(-c2nc(C3CCCC(O[Si](C)(C)C(C)(C)C)C3)cnc2N)cc1F.COC(=O)c1ccc(B(O)O)cc1F.N[C@H](CO)c1cccc(Cl)c1.Nc1ncc(C2CCCC(O)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1.Nc1ncc(C2CCCC(O)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C31H40ClFN4O3Si.2C25H26ClFN4O3.C24H34FN3O3Si.C23H32FN3O3Si.2C16H28BrN3OSi.2C16H29N3OSi.C8H8BFO4.C8H10ClNO/c1-31(2,3)41(4,5)40-23-11-7-9-20(15-23)26-17-35-29(34)28(36-26)21-12-13-24(25(33)16-21)30(39)37-27(18-38)19-8-6-10-22(32)14-19;2*26-17-5-1-3-14(9-17)22(13-32)31-25(34)19-8-7-16(11-20(19)27)23-24(28)29-12-21(30-23)15-4-2-6-18(33)10-15;1-24(2,3)32(5,6)31-17-9-7-8-15(12-17)20-14-27-22(26)21(28-20)16-10-11-18(19(25)13-16)23(29)30-4;1-23(2,3)31(4,5)30-16-8-6-7-14(11-16)19-13-26-21(25)20(27-19)15-9-10-17(22(28)29)18(24)12-15;2*1-16(2,3)22(4,5)21-12-8-6-7-11(9-12)13-10-19-15(18)14(17)20-13;2*1-16(2,3)21(4,5)20-13-8-6-7-12(9-13)14-10-19-15(17)11-18-14;1-14-8(11)6-3-2-5(9(12)13)4-7(6)10;9-7-3-1-2-6(4-7)8(10)5-11/h6,8,10,12-14,16-17,20,23,27,38H,7,9,11,15,18H2,1-5H3,(H2,34,35)(H,37,39);2*1,3,5,7-9,11-12,15,18,22,32-33H,2,4,6,10,13H2,(H2,28,29)(H,31,34);10-11,13-15,17H,7-9,12H2,1-6H3,(H2,26,27);9-10,12-14,16H,6-8,11H2,1-5H3,(H2,25,26)(H,28,29);2*10-12H,6-9H2,1-5H3,(H2,18,19);2*10-13H,6-9H2,1-5H3,(H2,17,19);2-4,12-13H,1H3;1-4,8,11H,5,10H2/t20?,23?,27-;2*15?,18?,22-;;;;;;;;8-/m111.......1/s1
InChIKeyAAZNOEXRJXHOTO-JLZSCOTESA-N
MW4231.82 g/mol
LogP44.92
Rot. Bonds46

About 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate

4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate (PubChem CID 157058096) has the molecular formula C208H290BBr2Cl4F6N31O24Si7 and a molecular weight of 4231.82 g/mol. Its IUPAC name is 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate.

Molecular Properties

Compound Name4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate
PubChem CID157058096
Molecular FormulaC208H290BBr2Cl4F6N31O24Si7
Molecular Weight4231.82 g/mol
Exact Mass4224.79
IUPAC Name4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate
SMILESCC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)n2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)c(-c3ccc(C(=O)O)c(F)c3)n2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)c(Br)n2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)c(Br)n2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)cn2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)cn2)C1.COC(=O)c1ccc(-c2nc(C3CCCC(O[Si](C)(C)C(C)(C)C)C3)cnc2N)cc1F.COC(=O)c1ccc(B(O)O)cc1F.N[C@H](CO)c1cccc(Cl)c1.Nc1ncc(C2CCCC(O)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1.Nc1ncc(C2CCCC(O)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C31H40ClFN4O3Si.2C25H26ClFN4O3.C24H34FN3O3Si.C23H32FN3O3Si.2C16H28BrN3OSi.2C16H29N3OSi.C8H8BFO4.C8H10ClNO/c1-31(2,3)41(4,5)40-23-11-7-9-20(15-23)26-17-35-29(34)28(36-26)21-12-13-24(25(33)16-21)30(39)37-27(18-38)19-8-6-10-22(32)14-19;2*26-17-5-1-3-14(9-17)22(13-32)31-25(34)19-8-7-16(11-20(19)27)23-24(28)29-12-21(30-23)15-4-2-6-18(33)10-15;1-24(2,3)32(5,6)31-17-9-7-8-15(12-17)20-14-27-22(26)21(28-20)16-10-11-18(19(25)13-16)23(29)30-4;1-23(2,3)31(4,5)30-16-8-6-7-14(11-16)19-13-26-21(25)20(27-19)15-9-10-17(22(28)29)18(24)12-15;2*1-16(2,3)22(4,5)21-12-8-6-7-11(9-12)13-10-19-15(18)14(17)20-13;2*1-16(2,3)21(4,5)20-13-8-6-7-12(9-13)14-10-19-15(17)11-18-14;1-14-8(11)6-3-2-5(9(12)13)4-7(6)10;9-7-3-1-2-6(4-7)8(10)5-11/h6,8,10,12-14,16-17,20,23,27,38H,7,9,11,15,18H2,1-5H3,(H2,34,35)(H,37,39);2*1,3,5,7-9,11-12,15,18,22,32-33H,2,4,6,10,13H2,(H2,28,29)(H,31,34);10-11,13-15,17H,7-9,12H2,1-6H3,(H2,26,27);9-10,12-14,16H,6-8,11H2,1-5H3,(H2,25,26)(H,28,29);2*10-12H,6-9H2,1-5H3,(H2,18,19);2*10-13H,6-9H2,1-5H3,(H2,17,19);2-4,12-13H,1H3;1-4,8,11H,5,10H2/t20?,23?,27-;2*15?,18?,22-;;;;;;;;8-/m111.......1/s1
InChIKeyAAZNOEXRJXHOTO-JLZSCOTESA-N
XLogP44.92
TPSA895.87 Ų
H-Bond Donors22
H-Bond Acceptors51
Rotatable Bonds46
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004231.82
LogP ≤ 544.92
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1051

Analyze 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate with MolForge

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Related Compounds

N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[3-amino-6-(4,4-difluorocyclohexyl)pyrazin-2-yl]-2-fluorobenzamide;4-[3-amino-6-[4-[(2-hydroxyacetyl)amino]cyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide)
CID 157582351
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-(2,2,2-trifluoro-1-phenylethyl)benzamide;methyl 4-[5-amino-6-[4-[[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]carbamoyl]-3-fluorophenyl]pyrazin-2-yl]piperidine-1-carboxylate;methyl 4-[5-amino-6-[3-fluoro-4-[[(1S)-2-hydroxy-1-phenylethyl]carbamoyl]phenyl]pyrazin-2-yl]piperidine-1-carboxylate
CID 162243862
4-[3-amino-6-[4-(hydroxymethyl)cyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;methyl 4-[3-amino-6-[4-(hydroxymethyl)cyclohexyl]pyrazin-2-yl]-2-fluorobenzoate
CID 118049803
4-[3-amino-6-[4-(hydroxymethyl)cyclohexyl]pyrazin-2-yl]-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;methyl 4-[3-amino-6-[4-(hydroxymethyl)cyclohexyl]pyrazin-2-yl]-2-fluorobenzoate
CID 118049804
4-[6-(1-acetylpiperidin-4-yl)-3-aminopyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[6-(1-acetylpiperidin-4-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-benzyl-2-fluoro-N-methylbenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-N-methylbenzamide
CID 157399863
4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide)
CID 157594911
(2S)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol;4-[3-amino-6-[(1S,3S,4R)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[(1R,3R,4S)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[(1S,3S,4R)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;4-[3-amino-6-[(1R,3R,4S)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;bis(tert-butyl 4-[3-amino-6-[(1S,3S,4R)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate);tert-butyl 4-[3-amino-6-[(1R,3R,4S)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate;hydrochloride
CID 157726066
(2S)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol;4-[3-amino-6-[(1S,3S,4R)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[(1R,3R,4S)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[(1S,3S,4R)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;4-[3-amino-6-[(1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;tert-butyl 4-[3-amino-6-[(1S,3S,4R)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate;bis(tert-butyl 4-[3-amino-6-[(1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate);hydrochloride
CID 157726067
N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoic acid;tert-butyl N-[(2S)-2-amino-2-(3-chlorophenyl)ethyl]carbamate;tert-butyl N-[(2S)-2-[[4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluorobenzoyl]amino]-2-(3-chlorophenyl)ethyl]carbamate;deuterioethane;methane
CID 157817624
4-[3-amino-6-(4-deuterio-4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2,2-dideuterio-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(4-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2,2-dideuterio-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-(3-chloro-5-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
CID 157846438
(2S)-2-amino-2-(3-chlorophenyl)ethanol;4-[3-amino-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;methane;methyl 4-[3-amino-6-(4-aminocyclohexyl)pyrazin-2-yl]-2-fluorobenzoate;methyl 4-[3-amino-6-[4-(benzylamino)cyclohexyl]pyrazin-2-yl]-2-fluorobenzoate;methyl 4-[3-amino-6-(4-oxocyclohexyl)pyrazin-2-yl]-2-fluorobenzoate;phenylmethanamine;sulfane
CID 157937266
4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide)
CID 158068276

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate?
The IUPAC name of 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate (CID 157058096) is 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate.
What is the SMILES notation for 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate?
The canonical SMILES for 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate is CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)n2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)c(-c3ccc(C(=O)O)c(F)c3)n2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)c(Br)n2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)c(Br)n2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)cn2)C1.CC(C)(C)[Si](C)(C)OC1CCCC(c2cnc(N)cn2)C1.COC(=O)c1ccc(-c2nc(C3CCCC(O[Si](C)(C)C(C)(C)C)C3)cnc2N)cc1F.COC(=O)c1ccc(B(O)O)cc1F.N[C@H](CO)c1cccc(Cl)c1.Nc1ncc(C2CCCC(O)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1.Nc1ncc(C2CCCC(O)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate?
The InChIKey is AAZNOEXRJXHOTO-JLZSCOTESA-N. The full InChI is InChI=1S/C31H40ClFN4O3Si.2C25H26ClFN4O3.C24H34FN3O3Si.C23H32FN3O3Si.2C16H28BrN3OSi.2C16H29N3OSi.C8H8BFO4.C8H10ClNO/c1-31(2,3)41(4,5)40-23-11-7-9-20(15-23)26-17-35-29(34)28(36-26)21-12-13-24(25(33)16-21)30(39)37-27(18-38)19-8-6-10-22(32)14-19;2*26-17-5-1-3-14(9-17)22(13-32)31-25(34)19-8-7-16(11-20(19)27)23-24(28)29-12-21(30-23)15-4-2-6-18(33)10-15;1-24(2,3)32(5,6)31-17-9-7-8-15(12-17)20-14-27-22(26)21(28-20)16-10-11-18(19(25)13-16)23(29)30-4;1-23(2,3)31(4,5)30-16-8-6-7-14(11-16)19-13-26-21(25)20(27-19)15-9-10-17(22(28)29)18(24)12-15;2*1-16(2,3)22(4,5)21-12-8-6-7-11(9-12)13-10-19-15(18)14(17)20-13;2*1-16(2,3)21(4,5)20-13-8-6-7-12(9-13)14-10-19-15(17)11-18-14;1-14-8(11)6-3-2-5(9(12)13)4-7(6)10;9-7-3-1-2-6(4-7)8(10)5-11/h6,8,10,12-14,16-17,20,23,27,38H,7,9,11,15,18H2,1-5H3,(H2,34,35)(H,37,39);2*1,3,5,7-9,11-12,15,18,22,32-33H,2,4,6,10,13H2,(H2,28,29)(H,31,34);10-11,13-15,17H,7-9,12H2,1-6H3,(H2,26,27);9-10,12-14,16H,6-8,11H2,1-5H3,(H2,25,26)(H,28,29);2*10-12H,6-9H2,1-5H3,(H2,18,19);2*10-13H,6-9H2,1-5H3,(H2,17,19);2-4,12-13H,1H3;1-4,8,11H,5,10H2/t20?,23?,27-;2*15?,18?,22-;;;;;;;;8-/m111.......1/s1.
What are the key properties of 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate?
4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate has a molecular weight of 4231.82 g/mol, XLogP of 44.92, 46 rotatable bonds, 22 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide;4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoic acid;(2S)-2-amino-2-(3-chlorophenyl)ethanol;bis(4-[3-amino-6-(3-hydroxycyclohexyl)pyrazin-2-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide);bis(3-bromo-5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);bis(5-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-amine);(3-fluoro-4-methoxycarbonylphenyl)boronic acid;methyl 4-[3-amino-6-[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazin-2-yl]-2-fluorobenzoate is sourced from PubChem (CID 157058096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).