W8Y

(5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]phenyl}methanone

Created: 2020-09-30
Last modified:  2021-01-27

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count0
Bond Count57
Aromatic Bond Count23
2D diagram of W8Y
Toggle HydrogenToggle Labels

Chemical Component Summary

Name(5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]phenyl}methanone
SynonymsBUCMD00429
Systematic Name (OpenEye OEToolkits)5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-[2-[(2-methyl-5-phenyl-pyrazol-3-yl)amino]-4,6-bis(oxidanyl)phenyl]methanone
FormulaC24 H21 N5 O3
Molecular Weight427.455
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c1(cc(cc(c1C(=O)N2Cc3c(C2)cccn3)Nc5cc(c4ccccc4)nn5C)O)O
SMILESCACTVS3.385Cn1nc(cc1Nc2cc(O)cc(O)c2C(=O)N3Cc4cccnc4C3)c5ccccc5
SMILESOpenEye OEToolkits2.0.7Cn1c(cc(n1)c2ccccc2)Nc3cc(cc(c3C(=O)N4Cc5cccnc5C4)O)O
Canonical SMILESCACTVS3.385 Cn1nc(cc1Nc2cc(O)cc(O)c2C(=O)N3Cc4cccnc4C3)c5ccccc5
Canonical SMILESOpenEye OEToolkits2.0.7 Cn1c(cc(n1)c2ccccc2)Nc3cc(cc(c3C(=O)N4Cc5cccnc5C4)O)O
InChIInChI1.03 InChI=1S/C24H21N5O3/c1-28-22(12-18(27-28)15-6-3-2-4-7-15)26-19-10-17(30)11-21(31)23(19)24(32)29-13-16-8-5-9-25-20(16)14-29/h2-12,26,30-31H,13-14H2,1H3
InChIKeyInChI1.03 BMYNNJVPFOZAKG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 155268966