N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]prop-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide

C114H78Cl4F3N25O7 — CID 158785273

About N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]prop-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide

N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]prop-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide (PubChem CID 158785273) has the molecular formula C114H78Cl4F3N25O7 and a molecular weight of 2108.85 g/mol. Its IUPAC name is N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]prop-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide.

Molecular Properties

• Compound Name: N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]prop-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide
• PubChem CID: 158785273
• Molecular Formula: C114H78Cl4F3N25O7
• Molecular Weight: 2108.85 g/mol
• Exact Mass: 2105.52
• IUPAC Name: N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]prop-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide
• SMILES: C#CC(=O)Nc1cc(-c2cnc3[nH]cc(Cl)c3c2)ccc1F.C#CC(=O)Nc1cc(-c2cnc3[nH]ccc3c2)ccc1F.C#CC(=O)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)n1.CC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)n1.CC#CC(=O)Nc1cccc(-c2cnc3[nH]ccc3c2)n1.CCC#CC(=O)Nc1cc(-c2cnc3[nH]ccc3c2)ccc1F.CCC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)n1
• InChI: InChI=1S/C18H14FN3O.C17H13ClN4O.C16H9ClFN3O.C16H11ClN4O.C16H10FN3O.C16H12N4O.C15H9ClN4O/c1-2-3-4-17(23)22-16-10-12(5-6-15(16)19)14-9-13-7-8-20-18(13)21-11-14;1-2-3-7-16(23)22-15-6-4-5-14(21-15)11-8-12-13(18)10-20-17(12)19-9-11;1-2-15(22)21-14-6-9(3-4-13(14)18)10-5-11-12(17)8-20-16(11)19-7-10;1-2-4-15(22)21-14-6-3-5-13(20-14)10-7-11-12(17)9-19-16(11)18-8-10;1-2-15(21)20-14-8-10(3-4-13(14)17)12-7-11-5-6-18-16(11)19-9-12;1-2-4-15(21)20-14-6-3-5-13(19-14)12-9-11-7-8-17-16(11)18-10-12;1-2-14(21)20-13-5-3-4-12(19-13)9-6-10-11(16)8-18-15(10)17-7-9/h5-11H,2H2,1H3,(H,20,21)(H,22,23);4-6,8-10H,2H2,1H3,(H,19,20)(H,21,22,23);1,3-8H,(H,19,20)(H,21,22);3,5-9H,1H3,(H,18,19)(H,20,21,22);1,3-9H,(H,18,19)(H,20,21);3,5-10H,1H3,(H,17,18)(H,19,20,21);1,3-8H,(H,17,18)(H,19,20,21)
• InChIKey: IRPDZSMQXZXMCW-UHFFFAOYSA-N
• XLogP: 22.56
• TPSA: 456.02 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2108.85
LogP ≤ 5	22.56
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]prop-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide?

The IUPAC name of N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]prop-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide (CID 158785273) is N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]prop-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide.

What is the SMILES notation for N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]prop-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide?

The canonical SMILES for N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]prop-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide is C#CC(=O)Nc1cc(-c2cnc3[nH]cc(Cl)c3c2)ccc1F.C#CC(=O)Nc1cc(-c2cnc3[nH]ccc3c2)ccc1F.C#CC(=O)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)n1.CC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)n1.CC#CC(=O)Nc1cccc(-c2cnc3[nH]ccc3c2)n1.CCC#CC(=O)Nc1cc(-c2cnc3[nH]ccc3c2)ccc1F.CCC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)n1.

What is the InChIKey of N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]prop-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide?

The InChIKey is IRPDZSMQXZXMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O.C17H13ClN4O.C16H9ClFN3O.C16H11ClN4O.C16H10FN3O.C16H12N4O.C15H9ClN4O/c1-2-3-4-17(23)22-16-10-12(5-6-15(16)19)14-9-13-7-8-20-18(13)21-11-14;1-2-3-7-16(23)22-15-6-4-5-14(21-15)11-8-12-13(18)10-20-17(12)19-9-11;1-2-15(22)21-14-6-9(3-4-13(14)18)10-5-11-12(17)8-20-16(11)19-7-10;1-2-4-15(22)21-14-6-3-5-13(20-14)10-7-11-12(17)9-19-16(11)18-8-10;1-2-15(21)20-14-8-10(3-4-13(14)17)12-7-11-5-6-18-16(11)19-9-12;1-2-4-15(21)20-14-6-3-5-13(19-14)12-9-11-7-8-17-16(11)18-10-12;1-2-14(21)20-13-5-3-4-12(19-13)9-6-10-11(16)8-18-15(10)17-7-9/h5-11H,2H2,1H3,(H,20,21)(H,22,23);4-6,8-10H,2H2,1H3,(H,19,20)(H,21,22,23);1,3-8H,(H,19,20)(H,21,22);3,5-9H,1H3,(H,18,19)(H,20,21,22);1,3-9H,(H,18,19)(H,20,21);3,5-10H,1H3,(H,17,18)(H,19,20,21);1,3-8H,(H,17,18)(H,19,20,21).

What are the key properties of N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]prop-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide?

N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]prop-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide has a molecular weight of 2108.85 g/mol, XLogP of 22.56, 14 rotatable bonds, 14 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]prop-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide is sourced from PubChem (CID 158785273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).