N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(4-chloro-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-ol;4-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(4-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde

C140H194BrCl5F6I2N18O14S2Si6 — CID 159492403

About N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(4-chloro-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-ol;4-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(4-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde

N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(4-chloro-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-ol;4-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(4-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde (PubChem CID 159492403) has the molecular formula C140H194BrCl5F6I2N18O14S2Si6 and a molecular weight of 3210.82 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(4-chloro-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-ol;4-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(4-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde.

Molecular Properties

• Compound Name: N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(4-chloro-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-ol;4-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(4-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde
• PubChem CID: 159492403
• Molecular Formula: C140H194BrCl5F6I2N18O14S2Si6
• Molecular Weight: 3210.82 g/mol
• Exact Mass: 3204.87
• IUPAC Name: N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(4-chloro-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-ol;4-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(4-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(O)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)ccnc21.COCN(c1cc(Cl)cnc1Br)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(O)c1c(OC)cnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COc1cnc2[nH]ccc2c1I.COc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C=O.COc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1Cl.COc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1I
• InChI: InChI=1S/C33H42ClF3N4O5SSi.C18H28N2O2Si.C17H27ClN2OSi.C17H27IN2OSi.C16H25ClN2OSi.C16H25ClN2Si.C15H13BrClF3N2O3S.C8H7IN2O/c1-19(2)48(20(3)4,21(5)6)41-13-12-25-29(28(46-9)17-39-32(25)41)31(42)30-27(14-23(34)16-38-30)40(18-45-8)47(43,44)24-11-10-22(7)26(15-24)33(35,36)37;1-12(2)23(13(3)4,14(5)6)20-9-8-15-16(11-21)17(22-7)10-19-18(15)20;2*1-11(2)22(12(3)4,13(5)6)20-9-8-14-16(18)15(21-7)10-19-17(14)20;1-10(2)21(11(3)4,12(5)6)19-8-7-13-15(17)14(20)9-18-16(13)19;1-11(2)20(12(3)4,13(5)6)19-10-8-14-15(17)7-9-18-16(14)19;1-9-3-4-11(6-12(9)15(18,19)20)26(23,24)22(8-25-2)13-5-10(17)7-21-14(13)16;1-12-6-4-11-8-5(7(6)9)2-3-10-8/h10-17,19-21,31,42H,18H2,1-9H3;8-14H,1-7H3;2*8-13H,1-7H3;7-12,20H,1-6H3;7-13H,1-6H3;3-7H,8H2,1-2H3;2-4H,1H3,(H,10,11)
• InChIKey: LYIZMQFCRFFYDI-UHFFFAOYSA-N
• XLogP: 42.53
• TPSA: 358.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 42
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3210.82
LogP ≤ 5	42.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(4-chloro-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-ol;4-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(4-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde?

The IUPAC name of N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(4-chloro-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-ol;4-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(4-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde (CID 159492403) is N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(4-chloro-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-ol;4-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(4-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde.

What is the SMILES notation for N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(4-chloro-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-ol;4-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(4-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde?

The canonical SMILES for N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(4-chloro-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-ol;4-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(4-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde is CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)c(O)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(Cl)ccnc21.COCN(c1cc(Cl)cnc1Br)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(O)c1c(OC)cnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COc1cnc2[nH]ccc2c1I.COc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C=O.COc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1Cl.COc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1I.

What is the InChIKey of N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(4-chloro-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-ol;4-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(4-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde?

The InChIKey is LYIZMQFCRFFYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42ClF3N4O5SSi.C18H28N2O2Si.C17H27ClN2OSi.C17H27IN2OSi.C16H25ClN2OSi.C16H25ClN2Si.C15H13BrClF3N2O3S.C8H7IN2O/c1-19(2)48(20(3)4,21(5)6)41-13-12-25-29(28(46-9)17-39-32(25)41)31(42)30-27(14-23(34)16-38-30)40(18-45-8)47(43,44)24-11-10-22(7)26(15-24)33(35,36)37;1-12(2)23(13(3)4,14(5)6)20-9-8-15-16(11-21)17(22-7)10-19-18(15)20;2*1-11(2)22(12(3)4,13(5)6)20-9-8-14-16(18)15(21-7)10-19-17(14)20;1-10(2)21(11(3)4,12(5)6)19-8-7-13-15(17)14(20)9-18-16(13)19;1-11(2)20(12(3)4,13(5)6)19-10-8-14-15(17)7-9-18-16(14)19;1-9-3-4-11(6-12(9)15(18,19)20)26(23,24)22(8-25-2)13-5-10(17)7-21-14(13)16;1-12-6-4-11-8-5(7(6)9)2-3-10-8/h10-17,19-21,31,42H,18H2,1-9H3;8-14H,1-7H3;2*8-13H,1-7H3;7-12,20H,1-6H3;7-13H,1-6H3;3-7H,8H2,1-2H3;2-4H,1H3,(H,10,11).

What are the key properties of N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(4-chloro-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-ol;4-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(4-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde?

N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(4-chloro-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-ol;4-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(4-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde has a molecular weight of 3210.82 g/mol, XLogP of 42.53, 42 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;N-[5-chloro-2-[hydroxy-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(4-chloro-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;(4-chloropyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;4-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-ol;4-iodo-5-methoxy-1H-pyrrolo[2,3-b]pyridine;(4-iodo-5-methoxypyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde is sourced from PubChem (CID 159492403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).