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

C103H78Cl2F3N21O6 — CID 158376564

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

N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]but-2-ynamide;N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide (PubChem CID 158376564) has the molecular formula C103H78Cl2F3N21O6 and a molecular weight of 1833.80 g/mol. Its IUPAC name is N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]but-2-ynamide;N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide.

Molecular Properties

• Compound Name: N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]but-2-ynamide;N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide
• PubChem CID: 158376564
• Molecular Formula: C103H78Cl2F3N21O6
• Molecular Weight: 1833.80 g/mol
• Exact Mass: 1831.58
• IUPAC Name: N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]but-2-ynamide;N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide
• SMILES: C#CC(=O)Nc1cccc(-c2cnc3[nH]cc(C)c3c2)n1.CC#CC(=O)Nc1cc(-c2cnc3[nH]cc(Cl)c3c2)ccc1F.CC#CC(=O)Nc1cc(-c2cnc3[nH]ccc3c2)ccc1F.CC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(C)c3c2)n1.CCC#CC(=O)Nc1cc(-c2cnc3[nH]cc(Cl)c3c2)ccc1F.CCC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(C)c3c2)n1
• InChI: InChI=1S/C18H13ClFN3O.C18H16N4O.C17H11ClFN3O.C17H12FN3O.C17H14N4O.C16H12N4O/c1-2-3-4-17(24)23-16-8-11(5-6-15(16)20)12-7-13-14(19)10-22-18(13)21-9-12;1-3-4-8-17(23)22-16-7-5-6-15(21-16)13-9-14-12(2)10-19-18(14)20-11-13;1-2-3-16(23)22-15-7-10(4-5-14(15)19)11-6-12-13(18)9-21-17(12)20-8-11;1-2-3-16(22)21-15-9-11(4-5-14(15)18)13-8-12-6-7-19-17(12)20-10-13;1-3-5-16(22)21-15-7-4-6-14(20-15)12-8-13-11(2)9-18-17(13)19-10-12;1-3-15(21)20-14-6-4-5-13(19-14)11-7-12-10(2)8-17-16(12)18-9-11/h5-10H,2H2,1H3,(H,21,22)(H,23,24);5-7,9-11H,3H2,1-2H3,(H,19,20)(H,21,22,23);4-9H,1H3,(H,20,21)(H,22,23);4-10H,1H3,(H,19,20)(H,21,22);4,6-10H,1-2H3,(H,18,19)(H,20,21,22);1,4-9H,2H3,(H,17,18)(H,19,20,21)
• InChIKey: GVGSYXSBMGTLOT-UHFFFAOYSA-N
• XLogP: 20.37
• TPSA: 385.35 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1833.80
LogP ≤ 5	20.37
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	15

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

The IUPAC name of N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]but-2-ynamide;N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide (CID 158376564) is N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]but-2-ynamide;N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide.

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

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

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

The InChIKey is GVGSYXSBMGTLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O.C18H16N4O.C17H11ClFN3O.C17H12FN3O.C17H14N4O.C16H12N4O/c1-2-3-4-17(24)23-16-8-11(5-6-15(16)20)12-7-13-14(19)10-22-18(13)21-9-12;1-3-4-8-17(23)22-16-7-5-6-15(21-16)13-9-14-12(2)10-19-18(14)20-11-13;1-2-3-16(23)22-15-7-10(4-5-14(15)19)11-6-12-13(18)9-21-17(12)20-8-11;1-2-3-16(22)21-15-9-11(4-5-14(15)18)13-8-12-6-7-19-17(12)20-10-13;1-3-5-16(22)21-15-7-4-6-14(20-15)12-8-13-11(2)9-18-17(13)19-10-12;1-3-15(21)20-14-6-4-5-13(19-14)11-7-12-10(2)8-17-16(12)18-9-11/h5-10H,2H2,1H3,(H,21,22)(H,23,24);5-7,9-11H,3H2,1-2H3,(H,19,20)(H,21,22,23);4-9H,1H3,(H,20,21)(H,22,23);4-10H,1H3,(H,19,20)(H,21,22);4,6-10H,1-2H3,(H,18,19)(H,20,21,22);1,4-9H,2H3,(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]but-2-ynamide;N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide?

N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]but-2-ynamide;N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide has a molecular weight of 1833.80 g/mol, XLogP of 20.37, 12 rotatable bonds, 12 hydrogen bond donors, and 15 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]but-2-ynamide;N-[5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluorophenyl]pent-2-ynamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]but-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]pent-2-ynamide;N-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]prop-2-ynamide is sourced from PubChem (CID 158376564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).