7-(benzenesulfonyl)-4-chloro-5-iodopyrrolo[2,3-d]pyrimidine;N-[5-[[7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;N-[5-[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methanone;N-[5-[[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methyl-3-pyridinyl)carbamate;methane

C133H119B3Cl2F5IN32O20S5 — CID 161298613

About 7-(benzenesulfonyl)-4-chloro-5-iodopyrrolo[2,3-d]pyrimidine;N-[5-[[7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;N-[5-[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methanone;N-[5-[[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methyl-3-pyridinyl)carbamate;methane

7-(benzenesulfonyl)-4-chloro-5-iodopyrrolo[2,3-d]pyrimidine;N-[5-[[7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;N-[5-[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methanone;N-[5-[[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methyl-3-pyridinyl)carbamate;methane (PubChem CID 161298613) has the molecular formula C133H119B3Cl2F5IN32O20S5 and a molecular weight of 2971.19 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-4-chloro-5-iodopyrrolo[2,3-d]pyrimidine;N-[5-[[7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;N-[5-[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methanone;N-[5-[[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methyl-3-pyridinyl)carbamate;methane.

Molecular Properties

• Compound Name: 7-(benzenesulfonyl)-4-chloro-5-iodopyrrolo[2,3-d]pyrimidine;N-[5-[[7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;N-[5-[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methanone;N-[5-[[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methyl-3-pyridinyl)carbamate;methane
• PubChem CID: 161298613
• Molecular Formula: C133H119B3Cl2F5IN32O20S5
• Molecular Weight: 2971.19 g/mol
• Exact Mass: 2968.65
• IUPAC Name: 7-(benzenesulfonyl)-4-chloro-5-iodopyrrolo[2,3-d]pyrimidine;N-[5-[[7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;N-[5-[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methanone;N-[5-[[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methyl-3-pyridinyl)carbamate;methane
• SMILES: C.CB(O)N(c1ccc(C)nc1)c1ccc(C(O)c2cn(S(=O)(=O)c3ccccc3)c3ncnc(Cl)c23)c(F)n1.CNc1ncnc2c1c(C(=O)c1ccc(Cc3ccc(C)nc3)nc1F)cn2S(=O)(=O)c1ccccc1.CNc1ncnc2c1c(C(=O)c1ccc(N(B(C)O)c3ccc(C)nc3)nc1F)cn2S(=O)(=O)c1ccccc1.CNc1ncnc2c1c(C(O)c1ccc(N(B(C)O)c3ccc(C)nc3)nc1F)cn2S(=O)(=O)c1ccccc1.Cc1ccc(N(C(=O)OC(C)(C)C)c2ccc(C=O)c(F)n2)cn1.O=S(=O)(c1ccccc1)n1cc(I)c2c(Cl)ncnc21
• InChI: InChI=1S/C26H25BFN7O4S.C26H23BFN7O4S.C26H21FN6O3S.C25H21BClFN6O4S.C17H18FN3O3.C12H7ClIN3O2S.CH4/c2*1-16-9-10-17(13-30-16)35(27(2)37)21-12-11-19(24(28)33-21)23(36)20-14-34(26-22(20)25(29-3)31-15-32-26)40(38,39)18-7-5-4-6-8-18;1-16-8-9-17(13-29-16)12-18-10-11-20(24(27)32-18)23(34)21-14-33(26-22(21)25(28-2)30-15-31-26)37(35,36)19-6-4-3-5-7-19;1-15-8-9-16(12-29-15)34(26(2)36)20-11-10-18(24(28)32-20)22(35)19-13-33(25-21(19)23(27)30-14-31-25)39(37,38)17-6-4-3-5-7-17;1-11-5-7-13(9-19-11)21(16(23)24-17(2,3)4)14-8-6-12(10-22)15(18)20-14;13-11-10-9(14)6-17(12(10)16-7-15-11)20(18,19)8-4-2-1-3-5-8;/h4-15,23,36-37H,1-3H3,(H,29,31,32);4-15,37H,1-3H3,(H,29,31,32);3-11,13-15H,12H2,1-2H3,(H,28,30,31);3-14,22,35-36H,1-2H3;5-10H,1-4H3;1-7H;1H4
• InChIKey: VHHOZKFXBYLUMU-UHFFFAOYSA-N
• XLogP: 21.74
• TPSA: 680.86 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 51
• Rotatable Bonds: 35
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2971.19
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-4-chloro-5-iodopyrrolo[2,3-d]pyrimidine;N-[5-[[7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;N-[5-[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methanone;N-[5-[[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methyl-3-pyridinyl)carbamate;methane?

The IUPAC name of 7-(benzenesulfonyl)-4-chloro-5-iodopyrrolo[2,3-d]pyrimidine;N-[5-[[7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;N-[5-[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methanone;N-[5-[[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methyl-3-pyridinyl)carbamate;methane (CID 161298613) is 7-(benzenesulfonyl)-4-chloro-5-iodopyrrolo[2,3-d]pyrimidine;N-[5-[[7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;N-[5-[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methanone;N-[5-[[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methyl-3-pyridinyl)carbamate;methane.

What is the SMILES notation for 7-(benzenesulfonyl)-4-chloro-5-iodopyrrolo[2,3-d]pyrimidine;N-[5-[[7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;N-[5-[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methanone;N-[5-[[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methyl-3-pyridinyl)carbamate;methane?

The canonical SMILES for 7-(benzenesulfonyl)-4-chloro-5-iodopyrrolo[2,3-d]pyrimidine;N-[5-[[7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;N-[5-[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methanone;N-[5-[[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methyl-3-pyridinyl)carbamate;methane is C.CB(O)N(c1ccc(C)nc1)c1ccc(C(O)c2cn(S(=O)(=O)c3ccccc3)c3ncnc(Cl)c23)c(F)n1.CNc1ncnc2c1c(C(=O)c1ccc(Cc3ccc(C)nc3)nc1F)cn2S(=O)(=O)c1ccccc1.CNc1ncnc2c1c(C(=O)c1ccc(N(B(C)O)c3ccc(C)nc3)nc1F)cn2S(=O)(=O)c1ccccc1.CNc1ncnc2c1c(C(O)c1ccc(N(B(C)O)c3ccc(C)nc3)nc1F)cn2S(=O)(=O)c1ccccc1.Cc1ccc(N(C(=O)OC(C)(C)C)c2ccc(C=O)c(F)n2)cn1.O=S(=O)(c1ccccc1)n1cc(I)c2c(Cl)ncnc21.

What is the InChIKey of 7-(benzenesulfonyl)-4-chloro-5-iodopyrrolo[2,3-d]pyrimidine;N-[5-[[7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;N-[5-[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methanone;N-[5-[[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methyl-3-pyridinyl)carbamate;methane?

The InChIKey is VHHOZKFXBYLUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BFN7O4S.C26H23BFN7O4S.C26H21FN6O3S.C25H21BClFN6O4S.C17H18FN3O3.C12H7ClIN3O2S.CH4/c2*1-16-9-10-17(13-30-16)35(27(2)37)21-12-11-19(24(28)33-21)23(36)20-14-34(26-22(20)25(29-3)31-15-32-26)40(38,39)18-7-5-4-6-8-18;1-16-8-9-17(13-29-16)12-18-10-11-20(24(27)32-18)23(34)21-14-33(26-22(21)25(28-2)30-15-31-26)37(35,36)19-6-4-3-5-7-19;1-15-8-9-16(12-29-15)34(26(2)36)20-11-10-18(24(28)32-20)22(35)19-13-33(25-21(19)23(27)30-14-31-25)39(37,38)17-6-4-3-5-7-17;1-11-5-7-13(9-19-11)21(16(23)24-17(2,3)4)14-8-6-12(10-22)15(18)20-14;13-11-10-9(14)6-17(12(10)16-7-15-11)20(18,19)8-4-2-1-3-5-8;/h4-15,23,36-37H,1-3H3,(H,29,31,32);4-15,37H,1-3H3,(H,29,31,32);3-11,13-15H,12H2,1-2H3,(H,28,30,31);3-14,22,35-36H,1-2H3;5-10H,1-4H3;1-7H;1H4.

What are the key properties of 7-(benzenesulfonyl)-4-chloro-5-iodopyrrolo[2,3-d]pyrimidine;N-[5-[[7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;N-[5-[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methanone;N-[5-[[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methyl-3-pyridinyl)carbamate;methane?

7-(benzenesulfonyl)-4-chloro-5-iodopyrrolo[2,3-d]pyrimidine;N-[5-[[7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;N-[5-[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methanone;N-[5-[[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methyl-3-pyridinyl)carbamate;methane has a molecular weight of 2971.19 g/mol, XLogP of 21.74, 35 rotatable bonds, 8 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(benzenesulfonyl)-4-chloro-5-iodopyrrolo[2,3-d]pyrimidine;N-[5-[[7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;N-[5-[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methanone;N-[5-[[7-(benzenesulfonyl)-4-(methylamino)pyrrolo[2,3-d]pyrimidin-5-yl]-hydroxymethyl]-6-fluoro-2-pyridinyl]-methyl-N-(6-methyl-3-pyridinyl)boronamidic acid;tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-(6-methyl-3-pyridinyl)carbamate;methane is sourced from PubChem (CID 161298613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).