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

C68H55Cl6N13O8S5 — CID 158802828

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

5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;4-chloro-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;6-methoxypyridine-3-carbaldehyde (PubChem CID 158802828) has the molecular formula C68H55Cl6N13O8S5 and a molecular weight of 1555.32 g/mol. Its IUPAC name is 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;4-chloro-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;6-methoxypyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;4-chloro-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;6-methoxypyridine-3-carbaldehyde
• PubChem CID: 158802828
• Molecular Formula: C68H55Cl6N13O8S5
• Molecular Weight: 1555.32 g/mol
• Exact Mass: 1551.10
• IUPAC Name: 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;4-chloro-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;6-methoxypyridine-3-carbaldehyde
• SMILES: COc1ccc(C=O)cn1.COc1ccc(CCc2nc(Cl)c(Cc3c[nH]c4ncc(Cl)cc34)s2)cn1.COc1ccc(CCc2nc(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/C25H20Cl2N4O3S2.C19H16Cl2N4OS.C17H12Cl2N4O2S2.C7H7NO2/c1-34-22-9-7-16(13-28-22)8-10-23-30-24(27)21(35-23)11-17-15-31(25-20(17)12-18(26)14-29-25)36(32,33)19-5-3-2-4-6-19;1-26-16-4-2-11(8-22-16)3-5-17-25-18(21)15(27-17)6-12-9-23-19-14(12)7-13(20)10-24-19;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/h2-7,9,12-15H,8,10-11H2,1H3;2,4,7-10H,3,5-6H2,1H3,(H,23,24);1-5,7-9H,6H2,(H2,20,22);2-5H,1H3
• InChIKey: ITRZLVMYGIPZHC-UHFFFAOYSA-N
• XLogP: 16.03
• TPSA: 280.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1555.32
LogP ≤ 5	16.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;4-chloro-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;6-methoxypyridine-3-carbaldehyde (CID 158802828) is 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;4-chloro-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;6-methoxypyridine-3-carbaldehyde.

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

The canonical SMILES for 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;4-chloro-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;6-methoxypyridine-3-carbaldehyde is COc1ccc(C=O)cn1.COc1ccc(CCc2nc(Cl)c(Cc3c[nH]c4ncc(Cl)cc34)s2)cn1.COc1ccc(CCc2nc(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 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;4-chloro-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;6-methoxypyridine-3-carbaldehyde?

The InChIKey is ITRZLVMYGIPZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N4O3S2.C19H16Cl2N4OS.C17H12Cl2N4O2S2.C7H7NO2/c1-34-22-9-7-16(13-28-22)8-10-23-30-24(27)21(35-23)11-17-15-31(25-20(17)12-18(26)14-29-25)36(32,33)19-5-3-2-4-6-19;1-26-16-4-2-11(8-22-16)3-5-17-25-18(21)15(27-17)6-12-9-23-19-14(12)7-13(20)10-24-19;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/h2-7,9,12-15H,8,10-11H2,1H3;2,4,7-10H,3,5-6H2,1H3,(H,23,24);1-5,7-9H,6H2,(H2,20,22);2-5H,1H3.

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

5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;4-chloro-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;6-methoxypyridine-3-carbaldehyde has a molecular weight of 1555.32 g/mol, XLogP of 16.03, 20 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-1,3-thiazol-2-amine;4-chloro-5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-2-[2-(6-methoxy-3-pyridinyl)ethyl]-1,3-thiazole;6-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 158802828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).