EZQ
4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine
Created: | 2022-01-17 |
Last modified: | 2023-01-18 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 44 |
Chiral Atom Count | 0 |
Bond Count | 48 |
Aromatic Bond Count | 27 |
Chemical Component Summary | |
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Name | 4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine |
Systematic Name (OpenEye OEToolkits) | 4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine |
Formula | C22 H16 F N5 |
Molecular Weight | 369.394 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Fc1ccc(cc1)c2ncn(Cc3ccncc3)c2c4ccnc5[nH]ccc45 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(n(cn2)Cc3ccncc3)c4ccnc5c4cc[nH]5)F |
Canonical SMILES | CACTVS | 3.385 | Fc1ccc(cc1)c2ncn(Cc3ccncc3)c2c4ccnc5[nH]ccc45 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2c(n(cn2)Cc3ccncc3)c4ccnc5c4cc[nH]5)F |
InChI | InChI | 1.06 | InChI=1S/C22H16FN5/c23-17-3-1-16(2-4-17)20-21(18-7-11-25-22-19(18)8-12-26-22)28(14-27-20)13-15-5-9-24-10-6-15/h1-12,14H,13H2,(H,25,26) |
InChIKey | InChI | 1.06 | RJSIBZBOEOZVIR-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 139552542 |