5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-hydroxypropyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one

C122H127F4N29O9 — CID 158026327

About 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-hydroxypropyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one

5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-hydroxypropyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (PubChem CID 158026327) has the molecular formula C122H127F4N29O9 and a molecular weight of 2219.54 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-hydroxypropyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-hydroxypropyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
• PubChem CID: 158026327
• Molecular Formula: C122H127F4N29O9
• Molecular Weight: 2219.54 g/mol
• Exact Mass: 2218.03
• IUPAC Name: 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-hydroxypropyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
• SMILES: CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCCC6)cn5)[nH]c34)cc2F)no1.CC1CC(C)CN(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)C1.CCC(O)c1ccc(-c2nc3nccc(-c4ccc(CCC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c3[nH]2)nc1.CN1CCN(c2ccc(-c3nc4nccc(-c5ccc(CNC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1
• InChI: InChI=1S/C33H36FN7O2.C30H32FN9O2.C30H30FN7O2.C29H29FN6O3/c1-19-14-20(2)18-41(17-19)23-9-10-26(36-16-23)29-37-28-24(12-13-35-31(28)38-29)22-7-6-21(25(34)15-22)8-11-27(42)30-39-32(43-40-30)33(3,4)5;1-30(2,3)29-37-27(38-42-29)28(41)34-16-19-6-5-18(15-22(19)31)21-9-10-32-26-24(21)35-25(36-26)23-8-7-20(17-33-23)40-13-11-39(4)12-14-40;1-30(2,3)29-36-27(37-40-29)24(39)11-8-18-6-7-19(16-22(18)31)21-12-13-32-28-25(21)34-26(35-28)23-10-9-20(17-33-23)38-14-4-5-15-38;1-5-22(37)18-8-10-21(32-15-18)25-33-24-19(12-13-31-27(24)34-25)17-7-6-16(20(30)14-17)9-11-23(38)26-35-28(39-36-26)29(2,3)4/h6-7,9-10,12-13,15-16,19-20H,8,11,14,17-18H2,1-5H3,(H,35,37,38);5-10,15,17H,11-14,16H2,1-4H3,(H,34,41)(H,32,35,36);6-7,9-10,12-13,16-17H,4-5,8,11,14-15H2,1-3H3,(H,32,34,35);6-8,10,12-15,22,37H,5,9,11H2,1-4H3,(H,31,33,34)
• InChIKey: FGQNGLATSFXCKP-UHFFFAOYSA-N
• XLogP: 22.68
• TPSA: 487.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2219.54
LogP ≤ 5	22.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-hydroxypropyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?

The IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-hydroxypropyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (CID 158026327) is 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-hydroxypropyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.

What is the SMILES notation for 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-hydroxypropyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?

The canonical SMILES for 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-hydroxypropyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCCC6)cn5)[nH]c34)cc2F)no1.CC1CC(C)CN(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)C1.CCC(O)c1ccc(-c2nc3nccc(-c4ccc(CCC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c3[nH]2)nc1.CN1CCN(c2ccc(-c3nc4nccc(-c5ccc(CNC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1.

What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-hydroxypropyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?

The InChIKey is FGQNGLATSFXCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN7O2.C30H32FN9O2.C30H30FN7O2.C29H29FN6O3/c1-19-14-20(2)18-41(17-19)23-9-10-26(36-16-23)29-37-28-24(12-13-35-31(28)38-29)22-7-6-21(25(34)15-22)8-11-27(42)30-39-32(43-40-30)33(3,4)5;1-30(2,3)29-37-27(38-42-29)28(41)34-16-19-6-5-18(15-22(19)31)21-9-10-32-26-24(21)35-25(36-26)23-8-7-20(17-33-23)40-13-11-39(4)12-14-40;1-30(2,3)29-36-27(37-40-29)24(39)11-8-18-6-7-19(16-22(18)31)21-12-13-32-28-25(21)34-26(35-28)23-10-9-20(17-33-23)38-14-4-5-15-38;1-5-22(37)18-8-10-21(32-15-18)25-33-24-19(12-13-31-27(24)34-25)17-7-6-16(20(30)14-17)9-11-23(38)26-35-28(39-36-26)29(2,3)4/h6-7,9-10,12-13,15-16,19-20H,8,11,14,17-18H2,1-5H3,(H,35,37,38);5-10,15,17H,11-14,16H2,1-4H3,(H,34,41)(H,32,35,36);6-7,9-10,12-13,16-17H,4-5,8,11,14-15H2,1-3H3,(H,32,34,35);6-8,10,12-15,22,37H,5,9,11H2,1-4H3,(H,31,33,34).

What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-hydroxypropyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?

5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-hydroxypropyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one has a molecular weight of 2219.54 g/mol, XLogP of 22.68, 28 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[2-fluoro-4-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-[5-(1-hydroxypropyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(5-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is sourced from PubChem (CID 158026327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).