1-(benzenesulfonyl)-5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-methoxypyridine-3-carbaldehyde

C70H57Cl6N11O8S5 — CID 160941597

About 1-(benzenesulfonyl)-5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-methoxypyridine-3-carbaldehyde

1-(benzenesulfonyl)-5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-methoxypyridine-3-carbaldehyde (PubChem CID 160941597) has the molecular formula C70H57Cl6N11O8S5 and a molecular weight of 1553.35 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-methoxypyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-methoxypyridine-3-carbaldehyde
• PubChem CID: 160941597
• Molecular Formula: C70H57Cl6N11O8S5
• Molecular Weight: 1553.35 g/mol
• Exact Mass: 1549.11
• IUPAC Name: 1-(benzenesulfonyl)-5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-methoxypyridine-3-carbaldehyde
• SMILES: COc1ccc(C=O)cn1.COc1ccc(CCc2cc(Cl)c(Cc3c[nH]c4ncc(Cl)cc34)s2)cn1.COc1ccc(CCc2cc(Cl)c(Cc3cn(S(=O)(=O)c4ccccc4)c4ncc(Cl)cc34)s2)cn1.Nc1nc(Cl)c(Cc2cn(S(=O)(=O)c3ccccc3)c3ncc(Cl)cc23)s1
• InChI: InChI=1S/C26H21Cl2N3O3S2.C20H17Cl2N3OS.C17H12Cl2N4O2S2.C7H7NO2/c1-34-25-10-8-17(14-29-25)7-9-20-13-23(28)24(35-20)11-18-16-31(26-22(18)12-19(27)15-30-26)36(32,33)21-5-3-2-4-6-21;1-26-19-5-3-12(9-23-19)2-4-15-8-17(22)18(27-15)6-13-10-24-20-16(13)7-14(21)11-25-20;18-11-7-13-10(6-14-15(19)22-17(20)26-14)9-23(16(13)21-8-11)27(24,25)12-4-2-1-3-5-12;1-10-7-3-2-6(5-9)4-8-7/h2-6,8,10,12-16H,7,9,11H2,1H3;3,5,7-11H,2,4,6H2,1H3,(H,24,25);1-5,7-9H,6H2,(H2,20,22);2-5H,1H3
• InChIKey: SUOQKCWWVORXJI-UHFFFAOYSA-N
• XLogP: 17.24
• TPSA: 254.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1553.35
LogP ≤ 5	17.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-methoxypyridine-3-carbaldehyde?

The IUPAC name of 1-(benzenesulfonyl)-5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-methoxypyridine-3-carbaldehyde (CID 160941597) is 1-(benzenesulfonyl)-5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-methoxypyridine-3-carbaldehyde.

What is the SMILES notation for 1-(benzenesulfonyl)-5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-methoxypyridine-3-carbaldehyde?

The canonical SMILES for 1-(benzenesulfonyl)-5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-methoxypyridine-3-carbaldehyde is COc1ccc(C=O)cn1.COc1ccc(CCc2cc(Cl)c(Cc3c[nH]c4ncc(Cl)cc34)s2)cn1.COc1ccc(CCc2cc(Cl)c(Cc3cn(S(=O)(=O)c4ccccc4)c4ncc(Cl)cc34)s2)cn1.Nc1nc(Cl)c(Cc2cn(S(=O)(=O)c3ccccc3)c3ncc(Cl)cc23)s1.

What is the InChIKey of 1-(benzenesulfonyl)-5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-methoxypyridine-3-carbaldehyde?

The InChIKey is SUOQKCWWVORXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2N3O3S2.C20H17Cl2N3OS.C17H12Cl2N4O2S2.C7H7NO2/c1-34-25-10-8-17(14-29-25)7-9-20-13-23(28)24(35-20)11-18-16-31(26-22(18)12-19(27)15-30-26)36(32,33)21-5-3-2-4-6-21;1-26-19-5-3-12(9-23-19)2-4-15-8-17(22)18(27-15)6-13-10-24-20-16(13)7-14(21)11-25-20;18-11-7-13-10(6-14-15(19)22-17(20)26-14)9-23(16(13)21-8-11)27(24,25)12-4-2-1-3-5-12;1-10-7-3-2-6(5-9)4-8-7/h2-6,8,10,12-16H,7,9,11H2,1H3;3,5,7-11H,2,4,6H2,1H3,(H,24,25);1-5,7-9H,6H2,(H2,20,22);2-5H,1H3.

What are the key properties of 1-(benzenesulfonyl)-5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-methoxypyridine-3-carbaldehyde?

1-(benzenesulfonyl)-5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-methoxypyridine-3-carbaldehyde has a molecular weight of 1553.35 g/mol, XLogP of 17.24, 20 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;5-chloro-3-[[3-chloro-5-[2-(6-methoxy-3-pyridinyl)ethyl]thiophen-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;6-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 160941597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).