1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine

C98H70F3N12O9S6+ — CID 160764622

IUPAC1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine
SMILESC[N+]1=CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ncc(-c4ccccc4F)cc23)C1.Cn1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3ccccc3F)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2nccs2)c2cc(-c3ccccc3F)cnc21
InChIInChI=1S/C30H23N3O3S.C24H19FN3O2S.2C22H14FN3O2S2/c1-32-17-16-22(20-32)28-21-33(37(34,35)25-12-6-3-7-13-25)30-27(28)18-23(19-31-30)26-14-8-9-15-29(26)36-24-10-4-2-5-11-24;1-27-12-11-17(15-27)22-16-28(31(29,30)19-7-3-2-4-8-19)24-21(22)13-18(14-26-24)20-9-5-6-10-23(20)25;23-20-9-5-4-8-17(20)15-10-18-19(21-12-24-14-29-21)13-26(22(18)25-11-15)30(27,28)16-6-2-1-3-7-16;23-20-9-5-4-8-17(20)15-12-18-19(22-24-10-11-29-22)14-26(21(18)25-13-15)30(27,28)16-6-2-1-3-7-16/h2-21H,1H3;2-14,16H,15H2,1H3;2*1-14H/q;+1;;
InChIKeyRVFPWNIMHKMWSL-UHFFFAOYSA-N
MW1809.11 g/mol
LogP21.33
Rot. Bonds18

About 1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine (PubChem CID 160764622) has the molecular formula C98H70F3N12O9S6+ and a molecular weight of 1809.11 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine
PubChem CID160764622
Molecular FormulaC98H70F3N12O9S6+
Molecular Weight1809.11 g/mol
Exact Mass1807.37
IUPAC Name1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine
SMILESC[N+]1=CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ncc(-c4ccccc4F)cc23)C1.Cn1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3ccccc3F)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2nccs2)c2cc(-c3ccccc3F)cnc21
InChIInChI=1S/C30H23N3O3S.C24H19FN3O2S.2C22H14FN3O2S2/c1-32-17-16-22(20-32)28-21-33(37(34,35)25-12-6-3-7-13-25)30-27(28)18-23(19-31-30)26-14-8-9-15-29(26)36-24-10-4-2-5-11-24;1-27-12-11-17(15-27)22-16-28(31(29,30)19-7-3-2-4-8-19)24-21(22)13-18(14-26-24)20-9-5-6-10-23(20)25;23-20-9-5-4-8-17(20)15-10-18-19(21-12-24-14-29-21)13-26(22(18)25-11-15)30(27,28)16-6-2-1-3-7-16;23-20-9-5-4-8-17(20)15-12-18-19(22-24-10-11-29-22)14-26(21(18)25-13-15)30(27,28)16-6-2-1-3-7-16/h2-21H,1H3;2-14,16H,15H2,1H3;2*1-14H/q;+1;;
InChIKeyRVFPWNIMHKMWSL-UHFFFAOYSA-N
XLogP21.33
TPSA250.79 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001809.11
LogP ≤ 521.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 157451413
5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole
CID 157928948
2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;5-[[(4S)-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole
CID 158256384
5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(fluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole
CID 159033890
2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;5-[[(4S)-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole
CID 159223967
5-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;5-[[(4S)-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole
CID 159869255
3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-diethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 159886413
5-[[(4S)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4S)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2R,4S)-4-(difluoromethyl)-2-(4-fluorophenyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole
CID 160583139
5-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole
CID 161235858
2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-4-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;5-[[(4S)-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole
CID 161537480
2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4S)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;2-[[(4R)-6-fluoro-4-[(2S,4R)-2-pyridin-3-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,3-thiazole;5-[[(4S)-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole;5-[[(4R)-4-[(2S,4R)-2-pyridin-2-yl-4-(trifluoromethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-7-yl]sulfonylmethyl]-1,2,4-thiadiazole
CID 161745048
2-[1-(Benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 59811943

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine (CID 160764622) is 1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine is C[N+]1=CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ncc(-c4ccccc4F)cc23)C1.Cn1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3ccccc3F)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2nccs2)c2cc(-c3ccccc3F)cnc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine?
The InChIKey is RVFPWNIMHKMWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O3S.C24H19FN3O2S.2C22H14FN3O2S2/c1-32-17-16-22(20-32)28-21-33(37(34,35)25-12-6-3-7-13-25)30-27(28)18-23(19-31-30)26-14-8-9-15-29(26)36-24-10-4-2-5-11-24;1-27-12-11-17(15-27)22-16-28(31(29,30)19-7-3-2-4-8-19)24-21(22)13-18(14-26-24)20-9-5-6-10-23(20)25;23-20-9-5-4-8-17(20)15-10-18-19(21-12-24-14-29-21)13-26(22(18)25-11-15)30(27,28)16-6-2-1-3-7-16;23-20-9-5-4-8-17(20)15-12-18-19(22-24-10-11-29-22)14-26(21(18)25-13-15)30(27,28)16-6-2-1-3-7-16/h2-21H,1H3;2-14,16H,15H2,1H3;2*1-14H/q;+1;;.
What are the key properties of 1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine has a molecular weight of 1809.11 g/mol, XLogP of 21.33, 18 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-(2-fluorophenyl)-3-(1-methyl-2H-pyrrol-1-ium-3-yl)pyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 160764622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).