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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane

C70H75N9O11S5 — CID 158020352

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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane
SMILESC.C.CCc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2[nH]1.CCc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1.O=Cc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H25N3O4S2.C24H21N3O5S2.C19H21N3O2S.2CH4/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;1-3,6-13,16-17H,4-5,14-15H2;5-10,13H,2-4,11-12H2,1H3,(H,20,21);2*1H4
InChIKeyFFZHBDALZWTMRE-UHFFFAOYSA-N
MW1378.76 g/mol
LogP12.67
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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane

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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane (PubChem CID 158020352) has the molecular formula C70H75N9O11S5 and a molecular weight of 1378.76 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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane.

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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane
PubChem CID158020352
Molecular FormulaC70H75N9O11S5
Molecular Weight1378.76 g/mol
Exact Mass1377.42
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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane
SMILESC.C.CCc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2[nH]1.CCc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1.O=Cc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H25N3O4S2.C24H21N3O5S2.C19H21N3O2S.2CH4/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;1-3,6-13,16-17H,4-5,14-15H2;5-10,13H,2-4,11-12H2,1H3,(H,20,21);2*1H4
InChIKeyFFZHBDALZWTMRE-UHFFFAOYSA-N
XLogP12.67
TPSA261.81 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001378.76
LogP ≤ 512.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane with MolForge

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Related Compounds

1-(Phenylsulfonyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 59744482
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]pyridine-2-carbaldehyde
CID 91445819
1-(Benzenesulfonyl)-4-(4-piperidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 143647051
1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanamine;tert-butyl N-[[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]carbamate
CID 157481715
5-bromo-3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methylbenzaldehyde
CID 157788053
4-acetyl-1-benzylpyrrolidin-2-one;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-benzyl-N,N-dimethylpyrrolidine-3-carboxamide;1-(1-benzylpyrrolidin-3-yl)ethanone;2-[(1-benzylpyrrolidin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;(1-benzylpyrrolidin-3-yl)-(1-phenylpyrrolo[2,3-b]pyridin-2-yl)methanone;tert-butyl 3-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyrrolidine-1-carboxylate;methane;methoxyethane;2-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;2-(pyrrolidin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine;sulfur dioxide;hydrochloride
CID 157831878
5-(1H-indol-5-yl)-3-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine;3-(1H-indol-5-yl)-5-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-methylbenzaldehyde
CID 157998466
potassium;benzenesulfonyl chloride;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-2-carbaldehyde;7H-cyclopenta[b]pyridine;7H-cyclopenta[b]pyridine-6-carbaldehyde;bis(1-ethylpyrrolo[2,3-b]pyridine-2-carbaldehyde);iodoethane;oxolane;hydroxide
CID 158186012
[1-(4-methylphenyl)sulfonyl-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl]-(3-nitrophenyl)methanone;3-nitrobenzaldehyde;3-[1-(3-nitrophenyl)ethyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;(3-nitrophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 158513056
4-aminobenzamide;2-chloro-N-(1-methylindazol-6-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;4-[[4-[(1-methylindazol-6-yl)amino]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-[(1-methylindazol-6-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 158672448
3-[(1-benzylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;3-[(1-butylsulfonyl-3,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine;1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-2-phenylethanone;[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-phenylmethanone;bis(1-[3,5-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrazol-1-yl]-3-phenylpropan-1-one)
CID 159809822
4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]benzaldehyde;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzaldehyde
CID 160286807

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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane?
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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane (CID 158020352) 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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane.
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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane?
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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane is C.C.CCc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2[nH]1.CCc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1.O=Cc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2n1S(=O)(=O)c1ccccc1.
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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane?
The InChIKey is FFZHBDALZWTMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S2.C24H21N3O5S2.C19H21N3O2S.2CH4/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;1-3,6-13,16-17H,4-5,14-15H2;5-10,13H,2-4,11-12H2,1H3,(H,20,21);2*1H4.
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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane?
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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane has a molecular weight of 1378.76 g/mol, XLogP of 12.67, 16 rotatable bonds, 1 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]pyridine-2-carbaldehyde;2-ethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine;methane is sourced from PubChem (CID 158020352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).