1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine

C38H29BrN8O5S2 — CID 157150480

IUPAC1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(-c4ccoc4)cc23)cn1.Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cn1
InChIInChI=1S/C21H16N4O3S.C17H13BrN4O2S/c1-24-12-17(11-23-24)20-13-25(29(26,27)18-5-3-2-4-6-18)21-19(20)9-16(10-22-21)15-7-8-28-14-15;1-21-10-12(8-20-21)16-11-22(17-15(16)7-13(18)9-19-17)25(23,24)14-5-3-2-4-6-14/h2-14H,1H3;2-11H,1H3
InChIKeyALEVIZBLAPZQKB-UHFFFAOYSA-N
MW821.74 g/mol
LogP7.37
Rot. Bonds7

About 1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 157150480) has the molecular formula C38H29BrN8O5S2 and a molecular weight of 821.74 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID157150480
Molecular FormulaC38H29BrN8O5S2
Molecular Weight821.74 g/mol
Exact Mass820.09
IUPAC Name1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(-c4ccoc4)cc23)cn1.Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cn1
InChIInChI=1S/C21H16N4O3S.C17H13BrN4O2S/c1-24-12-17(11-23-24)20-13-25(29(26,27)18-5-3-2-4-6-18)21-19(20)9-16(10-22-21)15-7-8-28-14-15;1-21-10-12(8-20-21)16-11-22(17-15(16)7-13(18)9-19-17)25(23,24)14-5-3-2-4-6-14/h2-14H,1H3;2-11H,1H3
InChIKeyALEVIZBLAPZQKB-UHFFFAOYSA-N
XLogP7.37
TPSA152.70 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500821.74
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

1-Benzenesulfonyl-5-bromo-3-furan-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 9978492
1-(Benzenesulfonyl)-3-(furan-3-yl)-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine
CID 57830149
1-(Benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 59238811
1-(Benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-2,3-dihydropyrrolo[2,3-b]pyridine
CID 69050418
5-Bromo-3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;[3-[3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridin-5-yl]pyrrol-1-yl]-tri(propan-2-yl)silane;methane;[1-tri(propan-2-yl)silylpyrrol-3-yl]boronic acid
CID 158702537
1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;ethyl 1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridine-5-carboximidate;hydrochloride
CID 158878331
5-Bromo-3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;tributyl(thiophen-2-yl)stannane
CID 159312619
5-Bromo-3-(furan-3-yl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine;3-(furan-3-yl)-1-phenylsulfanylperoxy-5-thiophen-2-ylpyrrolo[2,3-b]pyridine;methane;tributyl(thiophen-2-yl)stannane
CID 159629629
1-(benzenesulfonyl)-3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-tritylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;4-[1-(benzenesulfonyl)-3-(furan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;tert-butyl 4-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]pyrazole-1-carboxylate
CID 160528319

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine (CID 157150480) is 1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine is Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(-c4ccoc4)cc23)cn1.Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc(Br)cc23)cn1.
What is the InChIKey of 1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is ALEVIZBLAPZQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S.C17H13BrN4O2S/c1-24-12-17(11-23-24)20-13-25(29(26,27)18-5-3-2-4-6-18)21-19(20)9-16(10-22-21)15-7-8-28-14-15;1-21-10-12(8-20-21)16-11-22(17-15(16)7-13(18)9-19-17)25(23,24)14-5-3-2-4-6-14/h2-14H,1H3;2-11H,1H3.
What are the key properties of 1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 821.74 g/mol, XLogP of 7.37, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-(furan-3-yl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157150480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).