1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine

C68H69N9O11S5 — CID 157439059

IUPAC1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2[nH]1.CCc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1.O=S(=O)(c1ccc(-c2ccnc3c2cc(CO)n3S(=O)(=O)c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C25H25N3O4S2.C24H23N3O5S2.C19H21N3O2S/c1-2-20-18-24-23(19-10-12-22(13-11-19)33(29,30)27-16-6-7-17-27)14-15-26-25(24)28(20)34(31,32)21-8-4-3-5-9-21;28-17-19-16-23-22(18-8-10-21(11-9-18)33(29,30)26-14-4-5-15-26)12-13-25-24(23)27(19)34(31,32)20-6-2-1-3-7-20;1-2-15-13-18-17(9-10-20-19(18)21-15)14-5-7-16(8-6-14)25(23,24)22-11-3-4-12-22/h3-5,8-15,18H,2,6-7,16-17H2,1H3;1-3,6-13,16,28H,4-5,14-15,17H2;5-10,13H,2-4,11-12H2,1H3,(H,20,21)
InChIKeyBRLIWRBJBZVIFN-UHFFFAOYSA-N
MW1348.69 g/mol
LogP11.08
Rot. Bonds16

About 1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 157439059) has the molecular formula C68H69N9O11S5 and a molecular weight of 1348.69 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID157439059
Molecular FormulaC68H69N9O11S5
Molecular Weight1348.69 g/mol
Exact Mass1347.37
IUPAC Name1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2[nH]1.CCc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1.O=S(=O)(c1ccc(-c2ccnc3c2cc(CO)n3S(=O)(=O)c2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C25H25N3O4S2.C24H23N3O5S2.C19H21N3O2S/c1-2-20-18-24-23(19-10-12-22(13-11-19)33(29,30)27-16-6-7-17-27)14-15-26-25(24)28(20)34(31,32)21-8-4-3-5-9-21;28-17-19-16-23-22(18-8-10-21(11-9-18)33(29,30)26-14-4-5-15-26)12-13-25-24(23)27(19)34(31,32)20-6-2-1-3-7-20;1-2-15-13-18-17(9-10-20-19(18)21-15)14-5-7-16(8-6-14)25(23,24)22-11-3-4-12-22/h3-5,8-15,18H,2,6-7,16-17H2,1H3;1-3,6-13,16,28H,4-5,14-15,17H2;5-10,13H,2-4,11-12H2,1H3,(H,20,21)
InChIKeyBRLIWRBJBZVIFN-UHFFFAOYSA-N
XLogP11.08
TPSA264.97 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001348.69
LogP ≤ 511.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

N-(2-hydroxyethyl)-4-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 24984450
1-{4-[4-(1-Pyrrolidinylsulfonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl}ethanol
CID 24984451
N-(2-aminoethyl)-4-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 24985287
[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol
CID 24985458
{1-(Phenylsulfonyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl}methanol
CID 59744416
N-(2-aminoethyl)-4-[2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide
CID 70822090
[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methyl methanesulfonate
CID 87524284
1-(Benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol
CID 90824175
N-(2-aminoethyl)-4-[2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide;ethenyl hypofluorite
CID 143647016
[1-(Benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;ethane
CID 143647164
1-azabicyclo[2.2.2]octan-3-one;2-(1-azabicyclo[2.2.2]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine;2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-pyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;3-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-1-azabicyclo[2.2.2]octan-3-ol;1H-pyrrolo[2,3-b]pyridine;3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1-azabicyclo[2.2.2]octan-3-ol
CID 157506315
[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methyl methanesulfonate;4-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(triazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 157717952

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 157439059) is 1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine is CCc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2[nH]1.CCc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1.O=S(=O)(c1ccc(-c2ccnc3c2cc(CO)n3S(=O)(=O)c2ccccc2)cc1)N1CCCC1.
What is the InChIKey of 1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BRLIWRBJBZVIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S2.C24H23N3O5S2.C19H21N3O2S/c1-2-20-18-24-23(19-10-12-22(13-11-19)33(29,30)27-16-6-7-17-27)14-15-26-25(24)28(20)34(31,32)21-8-4-3-5-9-21;28-17-19-16-23-22(18-8-10-21(11-9-18)33(29,30)26-14-4-5-15-26)12-13-25-24(23)27(19)34(31,32)20-6-2-1-3-7-20;1-2-15-13-18-17(9-10-20-19(18)21-15)14-5-7-16(8-6-14)25(23,24)22-11-3-4-12-22/h3-5,8-15,18H,2,6-7,16-17H2,1H3;1-3,6-13,16,28H,4-5,14-15,17H2;5-10,13H,2-4,11-12H2,1H3,(H,20,21).
What are the key properties of 1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1348.69 g/mol, XLogP of 11.08, 16 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanol;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157439059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).