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

C69H53Cl3F3N15O5S2 — CID 161298491

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

5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-fluoropyridine-3-carbaldehyde (PubChem CID 161298491) has the molecular formula C69H53Cl3F3N15O5S2 and a molecular weight of 1399.77 g/mol. Its IUPAC name is 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-fluoropyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-fluoropyridine-3-carbaldehyde
• PubChem CID: 161298491
• Molecular Formula: C69H53Cl3F3N15O5S2
• Molecular Weight: 1399.77 g/mol
• Exact Mass: 1397.28
• IUPAC Name: 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-fluoropyridine-3-carbaldehyde
• SMILES: Fc1cncc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c1.Nc1ccc(Cc2cn(S(=O)(=O)c3ccccc3)c3ncc(Cl)cc23)cn1.O=Cc1cncc(F)c1.O=S(=O)(c1ccccc1)n1cc(Cc2ccc(NCc3cncc(F)c3)nc2)c2cc(Cl)cnc21
• InChI: InChI=1S/C25H19ClFN5O2S.C19H15ClFN5.C19H15ClN4O2S.C6H4FNO/c26-20-10-23-19(16-32(25(23)31-14-20)35(33,34)22-4-2-1-3-5-22)8-17-6-7-24(29-12-17)30-13-18-9-21(27)15-28-11-18;20-15-5-17-14(9-25-19(17)26-10-15)3-12-1-2-18(23-7-12)24-8-13-4-16(21)11-22-6-13;20-15-9-17-14(8-13-6-7-18(21)22-10-13)12-24(19(17)23-11-15)27(25,26)16-4-2-1-3-5-16;7-6-1-5(4-9)2-8-3-6/h1-7,9-12,14-16H,8,13H2,(H,29,30);1-2,4-7,9-11H,3,8H2,(H,23,24)(H,25,26);1-7,9-12H,8H2,(H2,21,22);1-4H
• InChIKey: VHHDIOYNJCPFIB-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 277.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1399.77
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

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

The IUPAC name of 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-fluoropyridine-3-carbaldehyde (CID 161298491) is 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-fluoropyridine-3-carbaldehyde.

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

The canonical SMILES for 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-fluoropyridine-3-carbaldehyde is Fc1cncc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c1.Nc1ccc(Cc2cn(S(=O)(=O)c3ccccc3)c3ncc(Cl)cc23)cn1.O=Cc1cncc(F)c1.O=S(=O)(c1ccccc1)n1cc(Cc2ccc(NCc3cncc(F)c3)nc2)c2cc(Cl)cnc21.

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

The InChIKey is VHHDIOYNJCPFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5O2S.C19H15ClFN5.C19H15ClN4O2S.C6H4FNO/c26-20-10-23-19(16-32(25(23)31-14-20)35(33,34)22-4-2-1-3-5-22)8-17-6-7-24(29-12-17)30-13-18-9-21(27)15-28-11-18;20-15-5-17-14(9-25-19(17)26-10-15)3-12-1-2-18(23-7-12)24-8-13-4-16(21)11-22-6-13;20-15-9-17-14(8-13-6-7-18(21)22-10-13)12-24(19(17)23-11-15)27(25,26)16-4-2-1-3-5-16;7-6-1-5(4-9)2-8-3-6/h1-7,9-12,14-16H,8,13H2,(H,29,30);1-2,4-7,9-11H,3,8H2,(H,23,24)(H,25,26);1-7,9-12H,8H2,(H2,21,22);1-4H.

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

5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-fluoropyridine-3-carbaldehyde has a molecular weight of 1399.77 g/mol, XLogP of 13.93, 17 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-[[1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(5-fluoro-3-pyridinyl)methyl]pyridin-2-amine;5-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 161298491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).