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

C63H44Cl6F3N15O5S5 — CID 161066481

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

5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-N-[(5-fluoro-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-[(5-fluoro-3-pyridinyl)methyl]-1,3-thiazol-2-amine;5-fluoropyridine-3-carbaldehyde (PubChem CID 161066481) has the molecular formula C63H44Cl6F3N15O5S5 and a molecular weight of 1521.19 g/mol. Its IUPAC name is 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-N-[(5-fluoro-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-[(5-fluoro-3-pyridinyl)methyl]-1,3-thiazol-2-amine;5-fluoropyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-N-[(5-fluoro-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-[(5-fluoro-3-pyridinyl)methyl]-1,3-thiazol-2-amine;5-fluoropyridine-3-carbaldehyde
• PubChem CID: 161066481
• Molecular Formula: C63H44Cl6F3N15O5S5
• Molecular Weight: 1521.19 g/mol
• Exact Mass: 1517.03
• IUPAC Name: 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-N-[(5-fluoro-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-[(5-fluoro-3-pyridinyl)methyl]-1,3-thiazol-2-amine;5-fluoropyridine-3-carbaldehyde
• SMILES: Fc1cncc(CNc2nc(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(NCc3cncc(F)c3)nc2Cl)c2cc(Cl)cnc21
• InChI: InChI=1S/C23H16Cl2FN5O2S2.C17H12Cl2FN5S.C17H12Cl2N4O2S2.C6H4FNO/c24-16-8-19-15(13-31(22(19)28-11-16)35(32,33)18-4-2-1-3-5-18)7-20-21(25)30-23(34-20)29-10-14-6-17(26)12-27-9-14;18-11-3-13-10(6-22-16(13)23-7-11)2-14-15(19)25-17(26-14)24-5-9-1-12(20)8-21-4-9;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/h1-6,8-9,11-13H,7,10H2,(H,29,30);1,3-4,6-8H,2,5H2,(H,22,23)(H,24,25);1-5,7-9H,6H2,(H2,20,22);1-4H
• InChIKey: UEBXXTTWCGAXOX-UHFFFAOYSA-N
• XLogP: 16.08
• TPSA: 277.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1521.19
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

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-[(5-fluoro-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-[(5-fluoro-3-pyridinyl)methyl]-1,3-thiazol-2-amine;5-fluoropyridine-3-carbaldehyde?

The IUPAC name of 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-N-[(5-fluoro-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-[(5-fluoro-3-pyridinyl)methyl]-1,3-thiazol-2-amine;5-fluoropyridine-3-carbaldehyde (CID 161066481) is 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-N-[(5-fluoro-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-[(5-fluoro-3-pyridinyl)methyl]-1,3-thiazol-2-amine;5-fluoropyridine-3-carbaldehyde.

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

The canonical SMILES for 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-N-[(5-fluoro-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-[(5-fluoro-3-pyridinyl)methyl]-1,3-thiazol-2-amine;5-fluoropyridine-3-carbaldehyde is Fc1cncc(CNc2nc(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(NCc3cncc(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-N-[(5-fluoro-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-[(5-fluoro-3-pyridinyl)methyl]-1,3-thiazol-2-amine;5-fluoropyridine-3-carbaldehyde?

The InChIKey is UEBXXTTWCGAXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2FN5O2S2.C17H12Cl2FN5S.C17H12Cl2N4O2S2.C6H4FNO/c24-16-8-19-15(13-31(22(19)28-11-16)35(32,33)18-4-2-1-3-5-18)7-20-21(25)30-23(34-20)29-10-14-6-17(26)12-27-9-14;18-11-3-13-10(6-22-16(13)23-7-11)2-14-15(19)25-17(26-14)24-5-9-1-12(20)8-21-4-9;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/h1-6,8-9,11-13H,7,10H2,(H,29,30);1,3-4,6-8H,2,5H2,(H,22,23)(H,24,25);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-N-[(5-fluoro-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-[(5-fluoro-3-pyridinyl)methyl]-1,3-thiazol-2-amine;5-fluoropyridine-3-carbaldehyde?

5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-4-chloro-N-[(5-fluoro-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-[(5-fluoro-3-pyridinyl)methyl]-1,3-thiazol-2-amine;5-fluoropyridine-3-carbaldehyde has a molecular weight of 1521.19 g/mol, XLogP of 16.08, 17 rotatable bonds, 4 hydrogen bond donors, and 22 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-[(5-fluoro-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-[(5-fluoro-3-pyridinyl)methyl]-1,3-thiazol-2-amine;5-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 161066481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).