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Summary Atoms Bonds In PDB Entries Names Descriptors Complete Listing Modify Search Download Links Molfile:IdealRepresentative PDB:IdealRepresentative Other:mmCifCML Related compounds Could not find any related compound in the PDB. 3D-Views Ideal Representative PDB Links PDB entries

Explore the latest updates on our new PDBe-KB ligand pages, now with PDBeChem functionality and many more features. H0N : Summary Code H0N One-letter code X Molecule name 5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide Systematic names Program Version Name OpenEye OEToolkits 2.0.6 5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide Formula C24 H22 Cl2 N6 O2 Formal charge 0 Molecular weight 497.376 Da SMILES Type Program Version Descriptor SMILES CACTVS 3.385 Clc1ccc(CN2C=C(C(=O)Nc3ccncc3)c4n(ncc4C2=O)C5CCNCC5)cc1Cl SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1CN2C=C(c3c(cnn3C4CCNCC4)C2=O)C(=O)Nc5ccncc5)Cl)Cl Canonical SMILES CACTVS 3.385 Clc1ccc(CN2C=C(C(=O)Nc3ccncc3)c4n(ncc4C2=O)C5CCNCC5)cc1Cl Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1CN2C=C(c3c(cnn3C4CCNCC4)C2=O)C(=O)Nc5ccncc5)Cl)Cl IUPAC InChI InChI=1S/C24H22Cl2N6O2/c25-20-2-1-15(11-21(20)26)13-31-14-19(23(33)30-16-3-7-27-8-4-16)22-18(24(31)34)12-29-32(22)17-5-9-28-10-6-17/h1-4,7-8,11-12,14,17,28H,5-6,9-10,13H2,(H,27,30,33) IUPAC InChI key BMOUOZDRMBLNSI-UHFFFAOYSA-N

wwPDB Information Atom count 56 (34 without Hydrogen) Polymer type Bound ligand Type description NON-POLYMER Type code HETAIN Is modified No Standard parent Not Assigned Defined at 2018-10-27 Last modified at 2019-02-22 Status Released Obsoleted Not Assigned

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