5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(5-fluoro-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-(5-fluoro-3-pyridinyl)ethyl]-1,3-thiazole;5-fluoropyridine-3-carbaldehyde

C65H46Cl6F3N13O5S5 — CID 159165840

About 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(5-fluoro-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-(5-fluoro-3-pyridinyl)ethyl]-1,3-thiazole;5-fluoropyridine-3-carbaldehyde

5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(5-fluoro-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-(5-fluoro-3-pyridinyl)ethyl]-1,3-thiazole;5-fluoropyridine-3-carbaldehyde (PubChem CID 159165840) has the molecular formula C65H46Cl6F3N13O5S5 and a molecular weight of 1519.22 g/mol. Its IUPAC name is 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(5-fluoro-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-(5-fluoro-3-pyridinyl)ethyl]-1,3-thiazole;5-fluoropyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(5-fluoro-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-(5-fluoro-3-pyridinyl)ethyl]-1,3-thiazole;5-fluoropyridine-3-carbaldehyde
• PubChem CID: 159165840
• Molecular Formula: C65H46Cl6F3N13O5S5
• Molecular Weight: 1519.22 g/mol
• Exact Mass: 1515.04
• IUPAC Name: 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(5-fluoro-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-(5-fluoro-3-pyridinyl)ethyl]-1,3-thiazole;5-fluoropyridine-3-carbaldehyde
• SMILES: Fc1cncc(CCc2nc(Cl)c(Cc3c[nH]c4ncc(Cl)cc34)s2)c1.Nc1nc(Cl)c(Cc2cn(S(=O)(=O)c3ccccc3)c3ncc(Cl)cc23)s1.O=Cc1cncc(F)c1.O=S(=O)(c1ccccc1)n1cc(Cc2sc(CCc3cncc(F)c3)nc2Cl)c2cc(Cl)cnc21
• InChI: InChI=1S/C24H17Cl2FN4O2S2.C18H13Cl2FN4S.C17H12Cl2N4O2S2.C6H4FNO/c25-17-10-20-16(14-31(24(20)29-12-17)35(32,33)19-4-2-1-3-5-19)9-21-23(26)30-22(34-21)7-6-15-8-18(27)13-28-11-15;19-12-5-14-11(7-23-18(14)24-8-12)4-15-17(20)25-16(26-15)2-1-10-3-13(21)9-22-6-10;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;7-6-1-5(4-9)2-8-3-6/h1-5,8,10-14H,6-7,9H2;3,5-9H,1-2,4H2,(H,23,24);1-5,7-9H,6H2,(H2,20,22);1-4H
• InChIKey: KLBFKSKBPGQKBP-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 253.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1519.22
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

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-(5-fluoro-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-(5-fluoro-3-pyridinyl)ethyl]-1,3-thiazole;5-fluoropyridine-3-carbaldehyde?

The IUPAC name of 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(5-fluoro-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-(5-fluoro-3-pyridinyl)ethyl]-1,3-thiazole;5-fluoropyridine-3-carbaldehyde (CID 159165840) is 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(5-fluoro-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-(5-fluoro-3-pyridinyl)ethyl]-1,3-thiazole;5-fluoropyridine-3-carbaldehyde.

What is the SMILES notation for 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(5-fluoro-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-(5-fluoro-3-pyridinyl)ethyl]-1,3-thiazole;5-fluoropyridine-3-carbaldehyde?

The canonical SMILES for 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(5-fluoro-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-(5-fluoro-3-pyridinyl)ethyl]-1,3-thiazole;5-fluoropyridine-3-carbaldehyde is Fc1cncc(CCc2nc(Cl)c(Cc3c[nH]c4ncc(Cl)cc34)s2)c1.Nc1nc(Cl)c(Cc2cn(S(=O)(=O)c3ccccc3)c3ncc(Cl)cc23)s1.O=Cc1cncc(F)c1.O=S(=O)(c1ccccc1)n1cc(Cc2sc(CCc3cncc(F)c3)nc2Cl)c2cc(Cl)cnc21.

What is the InChIKey of 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(5-fluoro-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-(5-fluoro-3-pyridinyl)ethyl]-1,3-thiazole;5-fluoropyridine-3-carbaldehyde?

The InChIKey is KLBFKSKBPGQKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN4O2S2.C18H13Cl2FN4S.C17H12Cl2N4O2S2.C6H4FNO/c25-17-10-20-16(14-31(24(20)29-12-17)35(32,33)19-4-2-1-3-5-19)9-21-23(26)30-22(34-21)7-6-15-8-18(27)13-28-11-15;19-12-5-14-11(7-23-18(14)24-8-12)4-15-17(20)25-16(26-15)2-1-10-3-13(21)9-22-6-10;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;7-6-1-5(4-9)2-8-3-6/h1-5,8,10-14H,6-7,9H2;3,5-9H,1-2,4H2,(H,23,24);1-5,7-9H,6H2,(H2,20,22);1-4H.

What are the key properties of 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(5-fluoro-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-(5-fluoro-3-pyridinyl)ethyl]-1,3-thiazole;5-fluoropyridine-3-carbaldehyde?

5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-2-[2-(5-fluoro-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-(5-fluoro-3-pyridinyl)ethyl]-1,3-thiazole;5-fluoropyridine-3-carbaldehyde has a molecular weight of 1519.22 g/mol, XLogP of 16.43, 17 rotatable bonds, 2 hydrogen bond donors, and 20 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-(5-fluoro-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-(5-fluoro-3-pyridinyl)ethyl]-1,3-thiazole;5-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 159165840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).