5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine

C200H265BBr2I2N24O11S3Si5Sn3 — CID 159042145

IUPAC5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine
SMILESCCCC[Sn](CCCC)(CCCC)c1cn([Si](C)(C)C(C)(C)C)c2ncc(-c3ccc(N(C)C)cc3)cc12.CCCC[Sn](CCCC)(CCCC)c1cn([Si](C)(C)C(C)(C)C)c2ncc(-c3ccccc3Oc3ccccc3)cc12.CN(C)c1ccc(-c2cnc3c(c2)c(B2OC(C)(C)C(C)(C)O2)cn3S(=O)(=O)c2ccccc2)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(Br)cn3COCC[Si](C)(C)C)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(Br)cn3[Si](C)(C)C(C)(C)C)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cn1.CN(C)c1ccc(-c2cnc3c(c2)c([Sn](C)(C)C)cn3[Si](C)(C)C(C)(C)C)cc1.Ic1cn(OOSc2ccccc2)c2ncc(N3CCOCC3)cc12
InChIInChI=1S/C27H30BN3O4S.C25H27N2OSi.C21H28BrN3OSi.C21H28BrN3Si.2C21H28N3Si.C20H17IN4O2S.C17H16IN3O3S.6C4H9.3CH3.3Sn/c1-26(2)27(3,4)35-28(34-26)24-18-31(36(32,33)22-10-8-7-9-11-22)25-23(24)16-20(17-29-25)19-12-14-21(15-13-19)30(5)6;1-25(2,3)29(4,5)27-16-15-19-17-20(18-26-24(19)27)22-13-9-10-14-23(22)28-21-11-7-6-8-12-21;1-24(2)18-8-6-16(7-9-18)17-12-19-20(22)14-25(21(19)23-13-17)15-26-10-11-27(3,4)5;1-21(2,3)26(6,7)25-14-19(22)18-12-16(13-23-20(18)25)15-8-10-17(11-9-15)24(4)5;2*1-21(2,3)25(6,7)24-13-12-17-14-18(15-22-20(17)24)16-8-10-19(11-9-16)23(4)5;1-24(2)19-9-8-14(11-22-19)15-10-17-18(21)13-25(20(17)23-12-15)28(26,27)16-6-4-3-5-7-16;18-16-12-21(23-24-25-14-4-2-1-3-5-14)17-15(16)10-13(11-19-17)20-6-8-22-9-7-20;6*1-3-4-2;;;;;;/h7-18H,1-6H3;6-14,16-18H,1-5H3;6-9,12-14H,10-11,15H2,1-5H3;8-14H,1-7H3;2*8-11,13-15H,1-7H3;3-13H,1-2H3;1-5,10-12H,6-9H2;6*1,3-4H2,2H3;3*1H3;;;
InChIKeyJWETYICCTYRMHH-UHFFFAOYSA-N
MW4198.67 g/mol
LogP51.34
Rot. Bonds55

About 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine

5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine (PubChem CID 159042145) has the molecular formula C200H265BBr2I2N24O11S3Si5Sn3 and a molecular weight of 4198.67 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine
PubChem CID159042145
Molecular FormulaC200H265BBr2I2N24O11S3Si5Sn3
Molecular Weight4198.67 g/mol
Exact Mass4197.25
IUPAC Name5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine
SMILESCCCC[Sn](CCCC)(CCCC)c1cn([Si](C)(C)C(C)(C)C)c2ncc(-c3ccc(N(C)C)cc3)cc12.CCCC[Sn](CCCC)(CCCC)c1cn([Si](C)(C)C(C)(C)C)c2ncc(-c3ccccc3Oc3ccccc3)cc12.CN(C)c1ccc(-c2cnc3c(c2)c(B2OC(C)(C)C(C)(C)O2)cn3S(=O)(=O)c2ccccc2)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(Br)cn3COCC[Si](C)(C)C)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(Br)cn3[Si](C)(C)C(C)(C)C)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cn1.CN(C)c1ccc(-c2cnc3c(c2)c([Sn](C)(C)C)cn3[Si](C)(C)C(C)(C)C)cc1.Ic1cn(OOSc2ccccc2)c2ncc(N3CCOCC3)cc12
InChIInChI=1S/C27H30BN3O4S.C25H27N2OSi.C21H28BrN3OSi.C21H28BrN3Si.2C21H28N3Si.C20H17IN4O2S.C17H16IN3O3S.6C4H9.3CH3.3Sn/c1-26(2)27(3,4)35-28(34-26)24-18-31(36(32,33)22-10-8-7-9-11-22)25-23(24)16-20(17-29-25)19-12-14-21(15-13-19)30(5)6;1-25(2,3)29(4,5)27-16-15-19-17-20(18-26-24(19)27)22-13-9-10-14-23(22)28-21-11-7-6-8-12-21;1-24(2)18-8-6-16(7-9-18)17-12-19-20(22)14-25(21(19)23-13-17)15-26-10-11-27(3,4)5;1-21(2,3)26(6,7)25-14-19(22)18-12-16(13-23-20(18)25)15-8-10-17(11-9-15)24(4)5;2*1-21(2,3)25(6,7)24-13-12-17-14-18(15-22-20(17)24)16-8-10-19(11-9-16)23(4)5;1-24(2)19-9-8-14(11-22-19)15-10-17-18(21)13-25(20(17)23-12-15)28(26,27)16-6-4-3-5-7-16;18-16-12-21(23-24-25-14-4-2-1-3-5-14)17-15(16)10-13(11-19-17)20-6-8-22-9-7-20;6*1-3-4-2;;;;;;/h7-18H,1-6H3;6-14,16-18H,1-5H3;6-9,12-14H,10-11,15H2,1-5H3;8-14H,1-7H3;2*8-11,13-15H,1-7H3;3-13H,1-2H3;1-5,10-12H,6-9H2;6*1,3-4H2,2H3;3*1H3;;;
InChIKeyJWETYICCTYRMHH-UHFFFAOYSA-N
XLogP51.34
TPSA311.02 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds55
Heavy Atoms251
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004198.67
LogP ≤ 551.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine?
The IUPAC name of 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine (CID 159042145) is 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine.
What is the SMILES notation for 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine?
The canonical SMILES for 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine is CCCC[Sn](CCCC)(CCCC)c1cn([Si](C)(C)C(C)(C)C)c2ncc(-c3ccc(N(C)C)cc3)cc12.CCCC[Sn](CCCC)(CCCC)c1cn([Si](C)(C)C(C)(C)C)c2ncc(-c3ccccc3Oc3ccccc3)cc12.CN(C)c1ccc(-c2cnc3c(c2)c(B2OC(C)(C)C(C)(C)O2)cn3S(=O)(=O)c2ccccc2)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(Br)cn3COCC[Si](C)(C)C)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(Br)cn3[Si](C)(C)C(C)(C)C)cc1.CN(C)c1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cn1.CN(C)c1ccc(-c2cnc3c(c2)c([Sn](C)(C)C)cn3[Si](C)(C)C(C)(C)C)cc1.Ic1cn(OOSc2ccccc2)c2ncc(N3CCOCC3)cc12.
What is the InChIKey of 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine?
The InChIKey is JWETYICCTYRMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30BN3O4S.C25H27N2OSi.C21H28BrN3OSi.C21H28BrN3Si.2C21H28N3Si.C20H17IN4O2S.C17H16IN3O3S.6C4H9.3CH3.3Sn/c1-26(2)27(3,4)35-28(34-26)24-18-31(36(32,33)22-10-8-7-9-11-22)25-23(24)16-20(17-29-25)19-12-14-21(15-13-19)30(5)6;1-25(2,3)29(4,5)27-16-15-19-17-20(18-26-24(19)27)22-13-9-10-14-23(22)28-21-11-7-6-8-12-21;1-24(2)18-8-6-16(7-9-18)17-12-19-20(22)14-25(21(19)23-13-17)15-26-10-11-27(3,4)5;1-21(2,3)26(6,7)25-14-19(22)18-12-16(13-23-20(18)25)15-8-10-17(11-9-15)24(4)5;2*1-21(2,3)25(6,7)24-13-12-17-14-18(15-22-20(17)24)16-8-10-19(11-9-16)23(4)5;1-24(2)19-9-8-14(11-22-19)15-10-17-18(21)13-25(20(17)23-12-15)28(26,27)16-6-4-3-5-7-16;18-16-12-21(23-24-25-14-4-2-1-3-5-14)17-15(16)10-13(11-19-17)20-6-8-22-9-7-20;6*1-3-4-2;;;;;;/h7-18H,1-6H3;6-14,16-18H,1-5H3;6-9,12-14H,10-11,15H2,1-5H3;8-14H,1-7H3;2*8-11,13-15H,1-7H3;3-13H,1-2H3;1-5,10-12H,6-9H2;6*1,3-4H2,2H3;3*1H3;;;.
What are the key properties of 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine?
5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine has a molecular weight of 4198.67 g/mol, XLogP of 51.34, 55 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine;4-[1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl-dimethyl-[5-(2-phenoxyphenyl)-3-tributylstannylpyrrolo[2,3-b]pyridin-1-yl]silane;4-[1-[tert-butyl(dimethyl)silyl]-3-tributylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-[1-[tert-butyl(dimethyl)silyl]-3-trimethylstannylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;4-(3-iodo-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl)morpholine is sourced from PubChem (CID 159042145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).