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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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

C173H234BrCl6F9I2N22O19S3Si7 — CID 159811448

IUPACN-(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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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
SMILESCC(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.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
InChIInChI=1S/C33H42ClF3N4O5SSi.C33H40ClF3N4O5SSi.C18H28N2O2Si.C17H27ClN2OSi.C17H27IN2OSi.C16H25ClN2OSi.C16H25ClN2Si.C15H13BrClF3N2O3S.C8H7IN2O/c2*1-19(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;10-17,19-21H,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)
InChIKeyNLBQEHRZZXVQSD-UHFFFAOYSA-N
MW3936.12 g/mol
LogP51.01
Rot. Bonds54

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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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 159811448) has the molecular formula C173H234BrCl6F9I2N22O19S3Si7 and a molecular weight of 3936.12 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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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 NameN-(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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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 CID159811448
Molecular FormulaC173H234BrCl6F9I2N22O19S3Si7
Molecular Weight3936.12 g/mol
Exact Mass3929.08
IUPAC NameN-(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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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
SMILESCC(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.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
InChIInChI=1S/C33H42ClF3N4O5SSi.C33H40ClF3N4O5SSi.C18H28N2O2Si.C17H27ClN2OSi.C17H27IN2OSi.C16H25ClN2OSi.C16H25ClN2Si.C15H13BrClF3N2O3S.C8H7IN2O/c2*1-19(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;10-17,19-21H,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)
InChIKeyNLBQEHRZZXVQSD-UHFFFAOYSA-N
XLogP51.01
TPSA461.90 Ų
H-Bond Donors3
H-Bond Acceptors37
Rotatable Bonds54
Heavy Atoms242
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003936.12
LogP ≤ 551.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1037

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'}

Analyze 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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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 with MolForge

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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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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 159811448) 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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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.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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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 NLBQEHRZZXVQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42ClF3N4O5SSi.C33H40ClF3N4O5SSi.C18H28N2O2Si.C17H27ClN2OSi.C17H27IN2OSi.C16H25ClN2OSi.C16H25ClN2Si.C15H13BrClF3N2O3S.C8H7IN2O/c2*1-19(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;10-17,19-21H,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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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 3936.12 g/mol, XLogP of 51.01, 54 rotatable bonds, 3 hydrogen bond donors, and 37 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;N-[5-chloro-2-[5-methoxy-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;(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 159811448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).