A1ADE
methyl 2-chloro-5-(methyl{(8R)-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl}amino)benzoate
Created: | 2024-01-20 |
Last modified: | 2024-09-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 55 |
Chiral Atom Count | 0 |
Bond Count | 58 |
Aromatic Bond Count | 22 |
Chemical Component Summary | |
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Name | methyl 2-chloro-5-(methyl{(8R)-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl}amino)benzoate |
Systematic Name (OpenEye OEToolkits) | methyl 2-chloranyl-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridin-5-yl]carbonyl-amino]benzoate |
Formula | C25 H21 Cl N4 O4 |
Molecular Weight | 476.912 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(c2c1)c1ccc(cc1)C(=O)NC |
SMILES | CACTVS | 3.385 | CNC(=O)c1ccc(cc1)c2cnn3ccc(cc23)C(=O)N(C)c4ccc(Cl)c(c4)C(=O)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1ccc(cc1)c2cnn3c2cc(cc3)C(=O)N(C)c4ccc(c(c4)C(=O)OC)Cl |
Canonical SMILES | CACTVS | 3.385 | CNC(=O)c1ccc(cc1)c2cnn3ccc(cc23)C(=O)N(C)c4ccc(Cl)c(c4)C(=O)OC |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1ccc(cc1)c2cnn3c2cc(cc3)C(=O)N(C)c4ccc(c(c4)C(=O)OC)Cl |
InChI | InChI | 1.06 | InChI=1S/C25H21ClN4O4/c1-27-23(31)16-6-4-15(5-7-16)20-14-28-30-11-10-17(12-22(20)30)24(32)29(2)18-8-9-21(26)19(13-18)25(33)34-3/h4-14H,1-3H3,(H,27,31) |
InChIKey | InChI | 1.06 | UUGWSUYPJGPKKF-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 163255390 |