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

C66H53Cl6N15O8S5 — CID 157095206

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

5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;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]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;6-methoxypyridine-3-carbaldehyde (PubChem CID 157095206) has the molecular formula C66H53Cl6N15O8S5 and a molecular weight of 1557.30 g/mol. Its IUPAC name is 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;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]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;6-methoxypyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;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]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;6-methoxypyridine-3-carbaldehyde
• PubChem CID: 157095206
• Molecular Formula: C66H53Cl6N15O8S5
• Molecular Weight: 1557.30 g/mol
• Exact Mass: 1553.09
• IUPAC Name: 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;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]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;6-methoxypyridine-3-carbaldehyde
• SMILES: COc1ccc(C=O)cn1.COc1ccc(CNc2nc(Cl)c(Cc3c[nH]c4ncc(Cl)cc34)s2)cn1.COc1ccc(CNc2nc(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/C24H19Cl2N5O3S2.C18H15Cl2N5OS.C17H12Cl2N4O2S2.C7H7NO2/c1-34-21-8-7-15(11-27-21)12-29-24-30-22(26)20(35-24)9-16-14-31(23-19(16)10-17(25)13-28-23)36(32,33)18-5-3-2-4-6-18;1-26-15-3-2-10(6-21-15)7-24-18-25-16(20)14(27-18)4-11-8-22-17-13(11)5-12(19)9-23-17;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/h2-8,10-11,13-14H,9,12H2,1H3,(H,29,30);2-3,5-6,8-9H,4,7H2,1H3,(H,22,23)(H,24,25);1-5,7-9H,6H2,(H2,20,22);2-5H,1H3
• InChIKey: AFDBFINKLOLETM-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 304.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1557.30
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

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-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;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]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;6-methoxypyridine-3-carbaldehyde?

The IUPAC name of 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;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]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;6-methoxypyridine-3-carbaldehyde (CID 157095206) is 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;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]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;6-methoxypyridine-3-carbaldehyde.

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

The canonical SMILES for 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;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]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;6-methoxypyridine-3-carbaldehyde is COc1ccc(C=O)cn1.COc1ccc(CNc2nc(Cl)c(Cc3c[nH]c4ncc(Cl)cc34)s2)cn1.COc1ccc(CNc2nc(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-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;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]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;6-methoxypyridine-3-carbaldehyde?

The InChIKey is AFDBFINKLOLETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N5O3S2.C18H15Cl2N5OS.C17H12Cl2N4O2S2.C7H7NO2/c1-34-21-8-7-15(11-27-21)12-29-24-30-22(26)20(35-24)9-16-14-31(23-19(16)10-17(25)13-28-23)36(32,33)18-5-3-2-4-6-18;1-26-15-3-2-10(6-21-15)7-24-18-25-16(20)14(27-18)4-11-8-22-17-13(11)5-12(19)9-23-17;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/h2-8,10-11,13-14H,9,12H2,1H3,(H,29,30);2-3,5-6,8-9H,4,7H2,1H3,(H,22,23)(H,24,25);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-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;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]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;6-methoxypyridine-3-carbaldehyde?

5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;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]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;6-methoxypyridine-3-carbaldehyde has a molecular weight of 1557.30 g/mol, XLogP of 15.69, 20 rotatable bonds, 4 hydrogen bond donors, and 25 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-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;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]-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine;6-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 157095206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).