sodium;[2-amino-6-[2-[4-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-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

C124H123F9N21NaO14 — CID 162266331

About sodium;[2-amino-6-[2-[4-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-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 162266331) has the molecular formula C124H123F9N21NaO14 and a molecular weight of 2325.45 g/mol. Its IUPAC name is sodium;[2-amino-6-[2-[4-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-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: 162266331
• Molecular Formula: C124H123F9N21NaO14
• Molecular Weight: 2325.45 g/mol
• Exact Mass: 2323.93
• IUPAC Name: sodium;[2-amino-6-[2-[4-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-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: CC(C)(C)c1nc(C(=O)Cc2cccc(-c3ccnc4nc(-c5ccc(N6CCC(F)(F)CC6)cc5)[nH]c34)c2CO)no1.CCOC(=O)c1noc(C(C)(C)C)n1.Nc1cccc(-c2ccnc3nc(-c4ccc(N5CCC(F)(F)CC5)cc4)[nH]c23)c1CO.Nc1nccc(-c2cccc3c2COC(=O)C3)c1N.O=C1Cc2cccc(-c3ccnc4nc(-c5ccc(N6CCC(F)(F)CC6)cc5)[nH]c34)c2CO1.O=Cc1ccc(F)cc1.O=Cc1ccc(N2CCC(F)(F)CC2)cc1.[Na+].[OH-]
• InChI: InChI=1S/C32H32F2N6O3.C26H22F2N4O2.C24H23F2N5O.C14H13N3O2.C12H13F2NO.C9H14N2O3.C7H5FO.Na.H2O/c1-31(2,3)30-38-28(39-43-30)25(42)17-20-5-4-6-22(24(20)18-41)23-11-14-35-29-26(23)36-27(37-29)19-7-9-21(10-8-19)40-15-12-32(33,34)13-16-40;27-26(28)9-12-32(13-10-26)18-6-4-16(5-7-18)24-30-23-20(8-11-29-25(23)31-24)19-3-1-2-17-14-22(33)34-15-21(17)19;25-24(26)9-12-31(13-10-24)16-6-4-15(5-7-16)22-29-21-18(8-11-28-23(21)30-22)17-2-1-3-20(27)19(17)14-32;15-13-10(4-5-17-14(13)16)9-3-1-2-8-6-12(18)19-7-11(8)9;13-12(14)5-7-15(8-6-12)11-3-1-10(9-16)2-4-11;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;;/h4-11,14,41H,12-13,15-18H2,1-3H3,(H,35,36,37);1-8,11H,9-10,12-15H2,(H,29,30,31);1-8,11,32H,9-10,12-14,27H2,(H,28,29,30);1-5H,6-7,15H2,(H2,16,17);1-4,9H,5-8H2;5H2,1-4H3;1-5H;;1H2/q;;;;;;;+1;/p-1
• InChIKey: ZZYLMWOUYOMTQK-UHFFFAOYSA-M
• XLogP: 20.11
• TPSA: 507.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2325.45
LogP ≤ 5	20.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

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-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-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 162266331) is sodium;[2-amino-6-[2-[4-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-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 CC(C)(C)c1nc(C(=O)Cc2cccc(-c3ccnc4nc(-c5ccc(N6CCC(F)(F)CC6)cc5)[nH]c34)c2CO)no1.CCOC(=O)c1noc(C(C)(C)C)n1.Nc1cccc(-c2ccnc3nc(-c4ccc(N5CCC(F)(F)CC5)cc4)[nH]c23)c1CO.Nc1nccc(-c2cccc3c2COC(=O)C3)c1N.O=C1Cc2cccc(-c3ccnc4nc(-c5ccc(N6CCC(F)(F)CC6)cc5)[nH]c34)c2CO1.O=Cc1ccc(F)cc1.O=Cc1ccc(N2CCC(F)(F)CC2)cc1.[Na+].[OH-].

What is the InChIKey of sodium;[2-amino-6-[2-[4-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-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 ZZYLMWOUYOMTQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H32F2N6O3.C26H22F2N4O2.C24H23F2N5O.C14H13N3O2.C12H13F2NO.C9H14N2O3.C7H5FO.Na.H2O/c1-31(2,3)30-38-28(39-43-30)25(42)17-20-5-4-6-22(24(20)18-41)23-11-14-35-29-26(23)36-27(37-29)19-7-9-21(10-8-19)40-15-12-32(33,34)13-16-40;27-26(28)9-12-32(13-10-26)18-6-4-16(5-7-18)24-30-23-20(8-11-29-25(23)31-24)19-3-1-2-17-14-22(33)34-15-21(17)19;25-24(26)9-12-31(13-10-24)16-6-4-15(5-7-16)22-29-21-18(8-11-28-23(21)30-22)17-2-1-3-20(27)19(17)14-32;15-13-10(4-5-17-14(13)16)9-3-1-2-8-6-12(18)19-7-11(8)9;13-12(14)5-7-15(8-6-12)11-3-1-10(9-16)2-4-11;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;;/h4-11,14,41H,12-13,15-18H2,1-3H3,(H,35,36,37);1-8,11H,9-10,12-15H2,(H,29,30,31);1-8,11,32H,9-10,12-14,27H2,(H,28,29,30);1-5H,6-7,15H2,(H2,16,17);1-4,9H,5-8H2;5H2,1-4H3;1-5H;;1H2/q;;;;;;;+1;/p-1.

What are the key properties of sodium;[2-amino-6-[2-[4-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-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 2325.45 g/mol, XLogP of 20.11, 20 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;[2-amino-6-[2-[4-(4,4-difluoropiperidin-1-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-(4,4-difluoropiperidin-1-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;4-(4,4-difluoropiperidin-1-yl)benzaldehyde;8-[2-[4-(4,4-difluoropiperidin-1-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 162266331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).