N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclopentanecarboxamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-fluoroacetamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;1-[2-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one
C140H116Cl6FN25O10 — CID 157077674
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclopentanecarboxamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-fluoroacetamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;1-[2-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one
N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclopentanecarboxamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-fluoroacetamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;1-[2-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 157077674) has the molecular formula C140H116Cl6FN25O10 and a molecular weight of 2540.35 g/mol. Its IUPAC name is N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclopentanecarboxamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-fluoroacetamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;1-[2-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one.
Molecular Properties
| Compound Name | N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclopentanecarboxamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-fluoroacetamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;1-[2-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one |
|---|---|
| PubChem CID | 157077674 |
| Molecular Formula | C140H116Cl6FN25O10 |
| Molecular Weight | 2540.35 g/mol |
| Exact Mass | 2535.75 |
| IUPAC Name | N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclopentanecarboxamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2-fluoroacetamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-ynamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-1-prop-2-enoylpyrrolidine-2-carboxamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-ynamide;N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-ynamide;1-[2-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one |
| SMILES | C#CC(=O)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)c1.C=CC(=O)N1CCCC1C(=O)Cc1cnc2[nH]ccc2c1.C=CC(=O)N1CCCC1C(=O)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)c1.CC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(C)c3c2)c1.CC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)c1.CCC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)c1.O=C(CF)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)c1.O=C(Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)c1)C1CCCC1 |
| InChI | InChI=1S/C21H19ClN4O2.C19H18ClN3O.C18H14ClN3O.C18H15N3O.C17H12ClN3O.C16H10ClN3O.C16H17N3O2.C15H11ClFN3O/c1-2-19(27)26-8-4-7-18(26)21(28)25-15-6-3-5-13(9-15)14-10-16-17(22)12-24-20(16)23-11-14;20-17-11-22-18-16(17)9-14(10-21-18)13-6-3-7-15(8-13)23-19(24)12-4-1-2-5-12;1-2-3-7-17(23)22-14-6-4-5-12(8-14)13-9-15-16(19)11-21-18(15)20-10-13;1-3-5-17(22)21-15-7-4-6-13(8-15)14-9-16-12(2)10-19-18(16)20-11-14;1-2-4-16(22)21-13-6-3-5-11(7-13)12-8-14-15(18)10-20-17(14)19-9-12;1-2-15(21)20-12-5-3-4-10(6-12)11-7-13-14(17)9-19-16(13)18-8-11;1-2-15(21)19-7-3-4-13(19)14(20)9-11-8-12-5-6-17-16(12)18-10-11;16-13-8-19-15-12(13)5-10(7-18-15)9-2-1-3-11(4-9)20-14(21)6-17/h2-3,5-6,9-12,18H,1,4,7-8H2,(H,23,24)(H,25,28);3,6-12H,1-2,4-5H2,(H,21,22)(H,23,24);4-6,8-11H,2H2,1H3,(H,20,21)(H,22,23);4,6-11H,1-2H3,(H,19,20)(H,21,22);3,5-10H,1H3,(H,19,20)(H,21,22);1,3-9H,(H,18,19)(H,20,21);2,5-6,8,10,13H,1,3-4,7,9H2,(H,17,18);1-5,7-8H,6H2,(H,18,19)(H,20,21) |
| InChIKey | ADDXEJWDTXOUFF-UHFFFAOYSA-N |
| XLogP | 29.69 |
| TPSA | 490.83 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 182 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2540.35 |
| LogP ≤ 5 | 29.69 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 18 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 157077674 — identifiers, structure, computed properties (public domain)
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