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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole

C108H75FN12O11S7 — CID 158699603

IUPAC5-[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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
SMILESCn1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3ccccc3F)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2nccs2)c2cc(-c3ccccc3Oc3ccccc3)cnc21
InChIInChI=1S/C30H23N3O3S.2C28H19N3O3S2.C22H14FN3O2S2/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;32-36(33,22-11-5-2-6-12-22)31-18-25(27-17-29-19-35-27)24-15-20(16-30-28(24)31)23-13-7-8-14-26(23)34-21-9-3-1-4-10-21;32-36(33,22-11-5-2-6-12-22)31-19-25(28-29-15-16-35-28)24-17-20(18-30-27(24)31)23-13-7-8-14-26(23)34-21-9-3-1-4-10-21;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/h2-21H,1H3;2*1-19H;1-14H
InChIKeyIHJHVLPQARGFHP-UHFFFAOYSA-N
MW1960.33 g/mol
LogP25.65
Rot. Bonds22

About 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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole (PubChem CID 158699603) has the molecular formula C108H75FN12O11S7 and a molecular weight of 1960.33 g/mol. Its IUPAC name is 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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
PubChem CID158699603
Molecular FormulaC108H75FN12O11S7
Molecular Weight1960.33 g/mol
Exact Mass1958.37
IUPAC Name5-[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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
SMILESCn1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3ccccc3F)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2nccs2)c2cc(-c3ccccc3Oc3ccccc3)cnc21
InChIInChI=1S/C30H23N3O3S.2C28H19N3O3S2.C22H14FN3O2S2/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;32-36(33,22-11-5-2-6-12-22)31-18-25(27-17-29-19-35-27)24-15-20(16-30-28(24)31)23-13-7-8-14-26(23)34-21-9-3-1-4-10-21;32-36(33,22-11-5-2-6-12-22)31-19-25(28-29-15-16-35-28)24-17-20(18-30-27(24)31)23-13-7-8-14-26(23)34-21-9-3-1-4-10-21;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/h2-21H,1H3;2*1-19H;1-14H
InChIKeyIHJHVLPQARGFHP-UHFFFAOYSA-N
XLogP25.65
TPSA279.13 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001960.33
LogP ≤ 525.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole 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
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)-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
5-[1-(Benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 59811923
2-[1-(Benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 59811943
1-(Benzenesulfonyl)-3-(furan-3-yl)-5-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(1-methylpyrrol-3-yl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;2-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole
CID 157539611

Frequently Asked Questions

What is the IUPAC name of 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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?
The IUPAC name of 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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole (CID 158699603) is 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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole.
What is the SMILES notation for 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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?
The canonical SMILES for 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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole is Cn1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(-c4ccccc4Oc4ccccc4)cc23)c1.O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3ccccc3F)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2cncs2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.O=S(=O)(c1ccccc1)n1cc(-c2nccs2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.
What is the InChIKey of 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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole?
The InChIKey is IHJHVLPQARGFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O3S.2C28H19N3O3S2.C22H14FN3O2S2/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;32-36(33,22-11-5-2-6-12-22)31-18-25(27-17-29-19-35-27)24-15-20(16-30-28(24)31)23-13-7-8-14-26(23)34-21-9-3-1-4-10-21;32-36(33,22-11-5-2-6-12-22)31-19-25(28-29-15-16-35-28)24-17-20(18-30-27(24)31)23-13-7-8-14-26(23)34-21-9-3-1-4-10-21;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/h2-21H,1H3;2*1-19H;1-14H.
What are the key properties of 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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole has a molecular weight of 1960.33 g/mol, XLogP of 25.65, 22 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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;2-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 158699603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).