sodium;[2-amino-6-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;(2S,6R)-2,6-dimethylmorpholine;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde;8-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide

C134H152FN22NaO19 — CID 159830510

About sodium;[2-amino-6-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;(2S,6R)-2,6-dimethylmorpholine;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde;8-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide

sodium;[2-amino-6-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;(2S,6R)-2,6-dimethylmorpholine;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde;8-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide (PubChem CID 159830510) has the molecular formula C134H152FN22NaO19 and a molecular weight of 2416.81 g/mol. Its IUPAC name is sodium;[2-amino-6-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;(2S,6R)-2,6-dimethylmorpholine;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde;8-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide.

Molecular Properties

• Compound Name: sodium;[2-amino-6-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;(2S,6R)-2,6-dimethylmorpholine;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde;8-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide
• PubChem CID: 159830510
• Molecular Formula: C134H152FN22NaO19
• Molecular Weight: 2416.81 g/mol
• Exact Mass: 2415.15
• IUPAC Name: sodium;[2-amino-6-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;(2S,6R)-2,6-dimethylmorpholine;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde;8-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide
• SMILES: CCOC(=O)c1noc(C(C)(C)C)n1.C[C@@H]1CN(c2ccc(-c3nc4nccc(-c5cccc(CC(=O)c6noc(C(C)(C)C)n6)c5CO)c4[nH]3)cc2)C[C@H](C)O1.C[C@@H]1CN(c2ccc(-c3nc4nccc(-c5cccc(N)c5CO)c4[nH]3)cc2)C[C@H](C)O1.C[C@@H]1CN(c2ccc(-c3nc4nccc(-c5cccc6c5COC(=O)C6)c4[nH]3)cc2)C[C@H](C)O1.C[C@@H]1CN(c2ccc(C=O)cc2)C[C@H](C)O1.C[C@@H]1CNC[C@H](C)O1.Nc1nccc(-c2cccc3c2COC(=O)C3)c1N.O=Cc1ccc(F)cc1.[Na+].[OH-]
• InChI: InChI=1S/C33H36N6O4.C27H26N4O3.C25H27N5O2.C14H13N3O2.C13H17NO2.C9H14N2O3.C7H5FO.C6H13NO.Na.H2O/c1-19-16-39(17-20(2)42-19)23-11-9-21(10-12-23)29-35-28-25(13-14-34-31(28)36-29)24-8-6-7-22(26(24)18-40)15-27(41)30-37-32(43-38-30)33(3,4)5;1-16-13-31(14-17(2)34-16)20-8-6-18(7-9-20)26-29-25-22(10-11-28-27(25)30-26)21-5-3-4-19-12-24(32)33-15-23(19)21;1-15-12-30(13-16(2)32-15)18-8-6-17(7-9-18)24-28-23-20(10-11-27-25(23)29-24)19-4-3-5-22(26)21(19)14-31;15-13-10(4-5-17-14(13)16)9-3-1-2-8-6-12(18)19-7-11(8)9;1-10-7-14(8-11(2)16-10)13-5-3-12(9-15)4-6-13;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4;8-7-3-1-6(5-9)2-4-7;1-5-3-7-4-6(2)8-5;;/h6-14,19-20,40H,15-18H2,1-5H3,(H,34,35,36);3-11,16-17H,12-15H2,1-2H3,(H,28,29,30);3-11,15-16,31H,12-14,26H2,1-2H3,(H,27,28,29);1-5H,6-7,15H2,(H2,16,17);3-6,9-11H,7-8H2,1-2H3;5H2,1-4H3;1-5H;5-7H,3-4H2,1-2H3;;1H2/q;;;;;;;;+1;/p-1/t19-,20+;16-,17+;15-,16+;;10-,11+;;;5-,6+
• InChIKey: NNKCJRJZPAVEQJ-OFHXYEDUSA-M
• XLogP: 18.01
• TPSA: 565.21 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 20
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2416.81
LogP ≤ 5	18.01
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;[2-amino-6-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;(2S,6R)-2,6-dimethylmorpholine;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde;8-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide?

The IUPAC name of sodium;[2-amino-6-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;(2S,6R)-2,6-dimethylmorpholine;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde;8-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide (CID 159830510) is sodium;[2-amino-6-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;(2S,6R)-2,6-dimethylmorpholine;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde;8-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide.

What is the SMILES notation for sodium;[2-amino-6-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;(2S,6R)-2,6-dimethylmorpholine;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde;8-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide?

The canonical SMILES for sodium;[2-amino-6-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;(2S,6R)-2,6-dimethylmorpholine;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde;8-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide is CCOC(=O)c1noc(C(C)(C)C)n1.C[C@@H]1CN(c2ccc(-c3nc4nccc(-c5cccc(CC(=O)c6noc(C(C)(C)C)n6)c5CO)c4[nH]3)cc2)C[C@H](C)O1.C[C@@H]1CN(c2ccc(-c3nc4nccc(-c5cccc(N)c5CO)c4[nH]3)cc2)C[C@H](C)O1.C[C@@H]1CN(c2ccc(-c3nc4nccc(-c5cccc6c5COC(=O)C6)c4[nH]3)cc2)C[C@H](C)O1.C[C@@H]1CN(c2ccc(C=O)cc2)C[C@H](C)O1.C[C@@H]1CNC[C@H](C)O1.Nc1nccc(-c2cccc3c2COC(=O)C3)c1N.O=Cc1ccc(F)cc1.[Na+].[OH-].

What is the InChIKey of sodium;[2-amino-6-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;(2S,6R)-2,6-dimethylmorpholine;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde;8-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide?

The InChIKey is NNKCJRJZPAVEQJ-OFHXYEDUSA-M. The full InChI is InChI=1S/C33H36N6O4.C27H26N4O3.C25H27N5O2.C14H13N3O2.C13H17NO2.C9H14N2O3.C7H5FO.C6H13NO.Na.H2O/c1-19-16-39(17-20(2)42-19)23-11-9-21(10-12-23)29-35-28-25(13-14-34-31(28)36-29)24-8-6-7-22(26(24)18-40)15-27(41)30-37-32(43-38-30)33(3,4)5;1-16-13-31(14-17(2)34-16)20-8-6-18(7-9-20)26-29-25-22(10-11-28-27(25)30-26)21-5-3-4-19-12-24(32)33-15-23(19)21;1-15-12-30(13-16(2)32-15)18-8-6-17(7-9-18)24-28-23-20(10-11-27-25(23)29-24)19-4-3-5-22(26)21(19)14-31;15-13-10(4-5-17-14(13)16)9-3-1-2-8-6-12(18)19-7-11(8)9;1-10-7-14(8-11(2)16-10)13-5-3-12(9-15)4-6-13;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4;8-7-3-1-6(5-9)2-4-7;1-5-3-7-4-6(2)8-5;;/h6-14,19-20,40H,15-18H2,1-5H3,(H,34,35,36);3-11,16-17H,12-15H2,1-2H3,(H,28,29,30);3-11,15-16,31H,12-14,26H2,1-2H3,(H,27,28,29);1-5H,6-7,15H2,(H2,16,17);3-6,9-11H,7-8H2,1-2H3;5H2,1-4H3;1-5H;5-7H,3-4H2,1-2H3;;1H2/q;;;;;;;;+1;/p-1/t19-,20+;16-,17+;15-,16+;;10-,11+;;;5-,6+;;.

What are the key properties of sodium;[2-amino-6-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;(2S,6R)-2,6-dimethylmorpholine;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde;8-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide?

sodium;[2-amino-6-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;(2S,6R)-2,6-dimethylmorpholine;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde;8-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide has a molecular weight of 2416.81 g/mol, XLogP of 18.01, 20 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;[2-amino-6-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanol;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[3-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]ethanone;8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one;(2S,6R)-2,6-dimethylmorpholine;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde;8-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1,4-dihydroisochromen-3-one;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;4-fluorobenzaldehyde;hydroxide is sourced from PubChem (CID 159830510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).