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

Formal Charge0
Atom Count55
Chiral Atom Count0
Bond Count58
Aromatic Bond Count22
2D diagram of A1ADE
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Chemical Component Summary

Namemethyl 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
FormulaC25 H21 Cl N4 O4
Molecular Weight476.912
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(OC)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(c2c1)c1ccc(cc1)C(=O)NC
SMILESCACTVS3.385CNC(=O)c1ccc(cc1)c2cnn3ccc(cc23)C(=O)N(C)c4ccc(Cl)c(c4)C(=O)OC
SMILESOpenEye OEToolkits2.0.7CNC(=O)c1ccc(cc1)c2cnn3c2cc(cc3)C(=O)N(C)c4ccc(c(c4)C(=O)OC)Cl
Canonical SMILESCACTVS3.385 CNC(=O)c1ccc(cc1)c2cnn3ccc(cc23)C(=O)N(C)c4ccc(Cl)c(c4)C(=O)OC
Canonical SMILESOpenEye OEToolkits2.0.7 CNC(=O)c1ccc(cc1)c2cnn3c2cc(cc3)C(=O)N(C)c4ccc(c(c4)C(=O)OC)Cl
InChIInChI1.06 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)
InChIKeyInChI1.06 UUGWSUYPJGPKKF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 163255390