[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

C84H60N16O13S — CID 158513056

IUPAC[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
SMILESCC(c1cccc([N+](=O)[O-])c1)c1c[nH]c2ncc(-c3cccnc3)cc12.Cc1ccc(S(=O)(=O)n2cc(C(=O)c3cccc([N+](=O)[O-])c3)c3cc(-c4cccnc4)cnc32)cc1.O=C(c1cccc([N+](=O)[O-])c1)c1c[nH]c2ncc(-c3cccnc3)cc12.O=Cc1cccc([N+](=O)[O-])c1.c1cncc(-c2cnc3[nH]ccc3c2)c1
InChIInChI=1S/C26H18N4O5S.C20H16N4O2.C19H12N4O3.C12H9N3.C7H5NO3/c1-17-7-9-22(10-8-17)36(34,35)29-16-24(25(31)18-4-2-6-21(12-18)30(32)33)23-13-20(15-28-26(23)29)19-5-3-11-27-14-19;1-13(14-4-2-6-17(8-14)24(25)26)19-12-23-20-18(19)9-16(11-22-20)15-5-3-7-21-10-15;24-18(12-3-1-5-15(7-12)23(25)26)17-11-22-19-16(17)8-14(10-21-19)13-4-2-6-20-9-13;1-2-10(7-13-4-1)11-6-9-3-5-14-12(9)15-8-11;9-5-6-2-1-3-7(4-6)8(10)11/h2-16H,1H3;2-13H,1H3,(H,22,23);1-11H,(H,21,22);1-8H,(H,14,15);1-5H
InChIKeyHLHJEDRZKZDRKW-UHFFFAOYSA-N
MW1533.57 g/mol
LogP17.26
Rot. Bonds17

About [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

[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 (PubChem CID 158513056) has the molecular formula C84H60N16O13S and a molecular weight of 1533.57 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158513056
Molecular FormulaC84H60N16O13S
Molecular Weight1533.57 g/mol
Exact Mass1532.42
IUPAC Name[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
SMILESCC(c1cccc([N+](=O)[O-])c1)c1c[nH]c2ncc(-c3cccnc3)cc12.Cc1ccc(S(=O)(=O)n2cc(C(=O)c3cccc([N+](=O)[O-])c3)c3cc(-c4cccnc4)cnc32)cc1.O=C(c1cccc([N+](=O)[O-])c1)c1c[nH]c2ncc(-c3cccnc3)cc12.O=Cc1cccc([N+](=O)[O-])c1.c1cncc(-c2cnc3[nH]ccc3c2)c1
InChIInChI=1S/C26H18N4O5S.C20H16N4O2.C19H12N4O3.C12H9N3.C7H5NO3/c1-17-7-9-22(10-8-17)36(34,35)29-16-24(25(31)18-4-2-6-21(12-18)30(32)33)23-13-20(15-28-26(23)29)19-5-3-11-27-14-19;1-13(14-4-2-6-17(8-14)24(25)26)19-12-23-20-18(19)9-16(11-22-20)15-5-3-7-21-10-15;24-18(12-3-1-5-15(7-12)23(25)26)17-11-22-19-16(17)8-14(10-21-19)13-4-2-6-20-9-13;1-2-10(7-13-4-1)11-6-9-3-5-14-12(9)15-8-11;9-5-6-2-1-3-7(4-6)8(10)11/h2-16H,1H3;2-13H,1H3,(H,22,23);1-11H,(H,21,22);1-8H,(H,14,15);1-5H
InChIKeyHLHJEDRZKZDRKW-UHFFFAOYSA-N
XLogP17.26
TPSA413.33 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001533.57
LogP ≤ 517.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [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 with MolForge

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Related Compounds

(5-amino-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;N-[4-fluoro-3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]methanesulfonamide;1H-pyrrolo[2,3-b]pyridine
CID 157202306
1-butyl-3-[3-[1-(4-methylphenyl)sulfonyl-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]urea;3-[methoxy-(3-nitrophenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-3-[(3-nitrophenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridine;3-[[1-(4-methylphenyl)sulfonyl-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl]methyl]aniline;3-[(3-nitrophenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 157924774
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
N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-2-fluorobenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-4-methylbenzenesulfonamide;N-[3-(4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
CID 159546290
1-butyl-3-[3-[1-(4-methylphenyl)sulfonyl-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]urea;1-butyl-3-[3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea
CID 160067941
(3-aminophenyl)-[1-(4-methylphenyl)sulfonyl-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-butyl-3-[3-[1-(4-methylphenyl)sulfonyl-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]urea;1-butyl-3-[3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea
CID 160491958
(3-aminophenyl)-[1-(4-methylphenyl)sulfonyl-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl]methanone;[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 161246037
(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]butane-2-sulfonamide;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-nitrophenyl)methanone;N-[2,4-difluoro-3-(5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]butane-2-sulfonamide;N-[2,4-difluoro-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]butane-2-sulfonamide
CID 161336781
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 161509998
3-[3-(2-fluoro-5-methylbenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;(2-fluoro-5-methylphenyl)-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(2-fluoro-5-methylphenyl)-[5-[3-(methylsulfanylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;(2-fluoro-5-methylphenyl)-[5-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;methane;dihydrate
CID 161704226
(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-phenylmethanone;(7-hydroxy-4-nitropyrrolo[2,3-b]pyridin-3-yl)-phenylmethanone;(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)-phenylmethanone;phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine
CID 162121012

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(c1cccc([N+](=O)[O-])c1)c1c[nH]c2ncc(-c3cccnc3)cc12.Cc1ccc(S(=O)(=O)n2cc(C(=O)c3cccc([N+](=O)[O-])c3)c3cc(-c4cccnc4)cnc32)cc1.O=C(c1cccc([N+](=O)[O-])c1)c1c[nH]c2ncc(-c3cccnc3)cc12.O=Cc1cccc([N+](=O)[O-])c1.c1cncc(-c2cnc3[nH]ccc3c2)c1.
What is the InChIKey of [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?
The InChIKey is HLHJEDRZKZDRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O5S.C20H16N4O2.C19H12N4O3.C12H9N3.C7H5NO3/c1-17-7-9-22(10-8-17)36(34,35)29-16-24(25(31)18-4-2-6-21(12-18)30(32)33)23-13-20(15-28-26(23)29)19-5-3-11-27-14-19;1-13(14-4-2-6-17(8-14)24(25)26)19-12-23-20-18(19)9-16(11-22-20)15-5-3-7-21-10-15;24-18(12-3-1-5-15(7-12)23(25)26)17-11-22-19-16(17)8-14(10-21-19)13-4-2-6-20-9-13;1-2-10(7-13-4-1)11-6-9-3-5-14-12(9)15-8-11;9-5-6-2-1-3-7(4-6)8(10)11/h2-16H,1H3;2-13H,1H3,(H,22,23);1-11H,(H,21,22);1-8H,(H,14,15);1-5H.
What are the key properties of [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?
[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 has a molecular weight of 1533.57 g/mol, XLogP of 17.26, 17 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158513056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).