(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

C110H80N20O16S2 — CID 161246037

About (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

(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 (PubChem CID 161246037) has the molecular formula C110H80N20O16S2 and a molecular weight of 2002.11 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 161246037
• Molecular Formula: C110H80N20O16S2
• Molecular Weight: 2002.11 g/mol
• Exact Mass: 2000.55
• IUPAC Name: (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
• SMILES: CC(c1cccc([N+](=O)[O-])c1)c1c[nH]c2ncc(-c3cccnc3)cc12.Cc1ccc(S(=O)(=O)n2cc(C(=O)c3cccc(N)c3)c3cc(-c4cccnc4)cnc32)cc1.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
• InChI: InChI=1S/C26H18N4O5S.C26H20N4O3S.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;1-17-7-9-22(10-8-17)34(32,33)30-16-24(25(31)18-4-2-6-21(27)12-18)23-13-20(15-29-26(23)30)19-5-3-11-28-14-19;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;2-16H,27H2,1H3;2-13H,1H3,(H,22,23);1-11H,(H,21,22);1-8H,(H,14,15);1-5H
• InChIKey: VAQPLTHHDLEMFI-UHFFFAOYSA-N
• XLogP: 21.72
• TPSA: 521.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2002.11
LogP ≤ 5	21.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CC(c1cccc([N+](=O)[O-])c1)c1c[nH]c2ncc(-c3cccnc3)cc12.Cc1ccc(S(=O)(=O)n2cc(C(=O)c3cccc(N)c3)c3cc(-c4cccnc4)cnc32)cc1.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 (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?

The InChIKey is VAQPLTHHDLEMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O5S.C26H20N4O3S.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;1-17-7-9-22(10-8-17)34(32,33)30-16-24(25(31)18-4-2-6-21(27)12-18)23-13-20(15-29-26(23)30)19-5-3-11-28-14-19;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;2-16H,27H2,1H3;2-13H,1H3,(H,22,23);1-11H,(H,21,22);1-8H,(H,14,15);1-5H.

What are the key properties of (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?

(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 has a molecular weight of 2002.11 g/mol, XLogP of 21.72, 22 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 161246037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).