2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne

C241H173BCl2F4I3N27O17Si5 — CID 159673930

IUPAC2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne
SMILESC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C1COCCN1.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CCOC=O.C[Si](C)(C)CCOCn1c(C(F)F)c(-c2cccc(C#N)c2)c2c(N3CCOCC3)ncnc21.C[Si](C)(C)CCOCn1c(C=O)c(-c2cccc(C#N)c2)c2c(N3CCOCC3)ncnc21.C[Si](C)(C)CCOCn1c(C=O)c(I)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1c(C=O)c(I)c2c(N3CCOCC3)ncnc21.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)ncnc21.N#Cc1cccc(-c2c(C(F)F)[nH]c3ncnc(N4CCOCC4)c23)c1.N#Cc1cccc(B(O)O)c1
InChIInChI=1S/C31H4.C30H2.C29H4.C28H6.C24H29F2N5O2Si.C24H29N5O3Si.C18H15F2N5O.C17H25IN4O3Si.C13H17ClIN3O2Si.C12H17ClIN3OSi.C7H6BNO2.C4H9NO.C3H6O2.CH4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-34(2,3)12-11-33-16-31-21(22(25)26)19(18-6-4-5-17(13-18)14-27)20-23(28-15-29-24(20)31)30-7-9-32-10-8-30;1-33(2,3)12-11-32-17-29-20(15-30)21(19-6-4-5-18(13-19)14-25)22-23(26-16-27-24(22)29)28-7-9-31-10-8-28;19-16(20)15-13(12-3-1-2-11(8-12)9-21)14-17(24-15)22-10-23-18(14)25-4-6-26-7-5-25;1-26(2,3)9-8-25-12-22-13(10-23)15(18)14-16(19-11-20-17(14)22)21-4-6-24-7-5-21;1-21(2,3)5-4-20-8-18-9(6-19)11(15)10-12(14)16-7-17-13(10)18;1-19(2,3)5-4-18-8-17-6-9(14)10-11(13)15-7-16-12(10)17;9-5-6-2-1-3-7(4-6)8(10)11;1-3-6-4-2-5-1;1-2-5-3-4;/h1H,2H3;1-2H;1H,2H3;1-2H3;4-6,13,15,22H,7-12,16H2,1-3H3;4-6,13,15-16H,7-12,17H2,1-3H3;1-3,8,10,16H,4-7H2,(H,22,23,24);10-11H,4-9,12H2,1-3H3;6-7H,4-5,8H2,1-3H3;6-7H,4-5,8H2,1-3H3;1-4,10-11H;5H,1-4H2;3H,2H2,1H3;1H4
InChIKeyMUIVJOXQMIQXCI-UHFFFAOYSA-N
MW4398.06 g/mol
LogP25.47
Rot. Bonds40

About 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne

2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne (PubChem CID 159673930) has the molecular formula C241H173BCl2F4I3N27O17Si5 and a molecular weight of 4398.06 g/mol. Its IUPAC name is 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne.

Molecular Properties

Compound Name2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne
PubChem CID159673930
Molecular FormulaC241H173BCl2F4I3N27O17Si5
Molecular Weight4398.06 g/mol
Exact Mass4393.89
IUPAC Name2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne
SMILESC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C1COCCN1.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CCOC=O.C[Si](C)(C)CCOCn1c(C(F)F)c(-c2cccc(C#N)c2)c2c(N3CCOCC3)ncnc21.C[Si](C)(C)CCOCn1c(C=O)c(-c2cccc(C#N)c2)c2c(N3CCOCC3)ncnc21.C[Si](C)(C)CCOCn1c(C=O)c(I)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1c(C=O)c(I)c2c(N3CCOCC3)ncnc21.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)ncnc21.N#Cc1cccc(-c2c(C(F)F)[nH]c3ncnc(N4CCOCC4)c23)c1.N#Cc1cccc(B(O)O)c1
InChIInChI=1S/C31H4.C30H2.C29H4.C28H6.C24H29F2N5O2Si.C24H29N5O3Si.C18H15F2N5O.C17H25IN4O3Si.C13H17ClIN3O2Si.C12H17ClIN3OSi.C7H6BNO2.C4H9NO.C3H6O2.CH4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-34(2,3)12-11-33-16-31-21(22(25)26)19(18-6-4-5-17(13-18)14-27)20-23(28-15-29-24(20)31)30-7-9-32-10-8-30;1-33(2,3)12-11-32-17-29-20(15-30)21(19-6-4-5-18(13-19)14-25)22-23(26-16-27-24(22)29)28-7-9-31-10-8-28;19-16(20)15-13(12-3-1-2-11(8-12)9-21)14-17(24-15)22-10-23-18(14)25-4-6-26-7-5-25;1-26(2,3)9-8-25-12-22-13(10-23)15(18)14-16(19-11-20-17(14)22)21-4-6-24-7-5-21;1-21(2,3)5-4-20-8-18-9(6-19)11(15)10-12(14)16-7-17-13(10)18;1-19(2,3)5-4-18-8-17-6-9(14)10-11(13)15-7-16-12(10)17;9-5-6-2-1-3-7(4-6)8(10)11;1-3-6-4-2-5-1;1-2-5-3-4;/h1H,2H3;1-2H;1H,2H3;1-2H3;4-6,13,15,22H,7-12,16H2,1-3H3;4-6,13,15-16H,7-12,17H2,1-3H3;1-3,8,10,16H,4-7H2,(H,22,23,24);10-11H,4-9,12H2,1-3H3;6-7H,4-5,8H2,1-3H3;6-7H,4-5,8H2,1-3H3;1-4,10-11H;5H,1-4H2;3H,2H2,1H3;1H4
InChIKeyMUIVJOXQMIQXCI-UHFFFAOYSA-N
XLogP25.47
TPSA525.54 Ų
H-Bond Donors4
H-Bond Acceptors43
Rotatable Bonds40
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004398.06
LogP ≤ 525.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1043

Analyze 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne with MolForge

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Related Compounds

CID 161262954
CID 161262954
2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;3-[6-methyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne
CID 157328828
2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;bis(3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile);(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne
CID 157410014
2-[(4-chloro-5-iodo-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;3-[4-chloro-6-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;(3-cyanophenyl)boronic acid;hepta-1,3,5-triyne;hexa-1,3,5-triyne;3-[7-(hydroxymethyl)-6-methyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;iodomethane;methane;3-(6-methyl-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;3-[6-methyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;morpholine;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne
CID 159142336
3-[4-chloro-7-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;3-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;(3-cyanophenyl)boronic acid;dodeca-2,4,6,8,10-pentayne;methane;morpholine;3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;tetradeca-1,3,5,7,9,11,13-heptayne;trideca-1,3,5,7,9,11-hexayne
CID 159702390
2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne
CID 160164216
3-[4-chloro-7-(hydroxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;3-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;(3-cyanophenyl)boronic acid;dodeca-2,4,6,8,10-pentayne;methane;morpholine;3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile;tetradeca-1,3,5,7,9,11,13-heptayne;trideca-1,3,5,7,9,11-hexayne
CID 160556480

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne?
The IUPAC name of 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne (CID 159673930) is 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne.
What is the SMILES notation for 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne?
The canonical SMILES for 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne is C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.C1COCCN1.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CCOC=O.C[Si](C)(C)CCOCn1c(C(F)F)c(-c2cccc(C#N)c2)c2c(N3CCOCC3)ncnc21.C[Si](C)(C)CCOCn1c(C=O)c(-c2cccc(C#N)c2)c2c(N3CCOCC3)ncnc21.C[Si](C)(C)CCOCn1c(C=O)c(I)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1c(C=O)c(I)c2c(N3CCOCC3)ncnc21.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)ncnc21.N#Cc1cccc(-c2c(C(F)F)[nH]c3ncnc(N4CCOCC4)c23)c1.N#Cc1cccc(B(O)O)c1.
What is the InChIKey of 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne?
The InChIKey is MUIVJOXQMIQXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H4.C30H2.C29H4.C28H6.C24H29F2N5O2Si.C24H29N5O3Si.C18H15F2N5O.C17H25IN4O3Si.C13H17ClIN3O2Si.C12H17ClIN3OSi.C7H6BNO2.C4H9NO.C3H6O2.CH4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-34(2,3)12-11-33-16-31-21(22(25)26)19(18-6-4-5-17(13-18)14-27)20-23(28-15-29-24(20)31)30-7-9-32-10-8-30;1-33(2,3)12-11-32-17-29-20(15-30)21(19-6-4-5-18(13-19)14-25)22-23(26-16-27-24(22)29)28-7-9-31-10-8-28;19-16(20)15-13(12-3-1-2-11(8-12)9-21)14-17(24-15)22-10-23-18(14)25-4-6-26-7-5-25;1-26(2,3)9-8-25-12-22-13(10-23)15(18)14-16(19-11-20-17(14)22)21-4-6-24-7-5-21;1-21(2,3)5-4-20-8-18-9(6-19)11(15)10-12(14)16-7-17-13(10)18;1-19(2,3)5-4-18-8-17-6-9(14)10-11(13)15-7-16-12(10)17;9-5-6-2-1-3-7(4-6)8(10)11;1-3-6-4-2-5-1;1-2-5-3-4;/h1H,2H3;1-2H;1H,2H3;1-2H3;4-6,13,15,22H,7-12,16H2,1-3H3;4-6,13,15-16H,7-12,17H2,1-3H3;1-3,8,10,16H,4-7H2,(H,22,23,24);10-11H,4-9,12H2,1-3H3;6-7H,4-5,8H2,1-3H3;6-7H,4-5,8H2,1-3H3;1-4,10-11H;5H,1-4H2;3H,2H2,1H3;1H4.
What are the key properties of 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne?
2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne has a molecular weight of 4398.06 g/mol, XLogP of 25.47, 40 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;(3-cyanophenyl)boronic acid;3-[6-(difluoromethyl)-4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;3-[6-(difluoromethyl)-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;ethyl formate;3-[6-formyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile;hentriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;5-iodo-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde;methane;morpholine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne is sourced from PubChem (CID 159673930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).