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-(1,2-dihydroxyethyl)-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-[4-[2-[5-(2,6-dimethylmorpholin-4-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-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one

C120H123F4N29O11 — CID 159000830

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-(1,2-dihydroxyethyl)-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-[4-[2-[5-(2,6-dimethylmorpholin-4-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-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-(1,2-dihydroxyethyl)-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-[4-[2-[5-(2,6-dimethylmorpholin-4-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-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (PubChem CID 159000830) has the molecular formula C120H123F4N29O11 and a molecular weight of 2223.49 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-(1,2-dihydroxyethyl)-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-[4-[2-[5-(2,6-dimethylmorpholin-4-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-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-(1,2-dihydroxyethyl)-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-[4-[2-[5-(2,6-dimethylmorpholin-4-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-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
• PubChem CID: 159000830
• Molecular Formula: C120H123F4N29O11
• Molecular Weight: 2223.49 g/mol
• Exact Mass: 2221.99
• 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-(1,2-dihydroxyethyl)-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-[4-[2-[5-(2,6-dimethylmorpholin-4-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-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(C(O)CO)cn5)[nH]c34)cc2F)no1.CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCCC6)cn5)[nH]c34)cc2F)no1.CC1CN(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC(C)O1.CN1CCN(c2ccc(-c3nc4nccc(-c5ccc(CNC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1
• InChI: InChI=1S/C32H34FN7O3.C30H32FN9O2.C30H30FN7O2.C28H27FN6O4/c1-18-16-40(17-19(2)42-18)22-9-10-25(35-15-22)28-36-27-23(12-13-34-30(27)37-28)21-7-6-20(24(33)14-21)8-11-26(41)29-38-31(43-39-29)32(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;1-28(2,3)27-34-25(35-39-27)21(37)9-7-15-4-5-16(12-19(15)29)18-10-11-30-26-23(18)32-24(33-26)20-8-6-17(13-31-20)22(38)14-36/h6-7,9-10,12-15,18-19H,8,11,16-17H2,1-5H3,(H,34,36,37);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);4-6,8,10-13,22,36,38H,7,9,14H2,1-3H3,(H,30,32,33)
• InChIKey: JRHXLPUNNGLFOS-UHFFFAOYSA-N
• XLogP: 20.39
• TPSA: 516.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2223.49
LogP ≤ 5	20.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

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-(1,2-dihydroxyethyl)-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-[4-[2-[5-(2,6-dimethylmorpholin-4-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-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-(1,2-dihydroxyethyl)-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-[4-[2-[5-(2,6-dimethylmorpholin-4-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-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (CID 159000830) 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-(1,2-dihydroxyethyl)-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-[4-[2-[5-(2,6-dimethylmorpholin-4-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-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-(1,2-dihydroxyethyl)-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-[4-[2-[5-(2,6-dimethylmorpholin-4-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-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-(1,2-dihydroxyethyl)-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-[4-[2-[5-(2,6-dimethylmorpholin-4-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-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(C(O)CO)cn5)[nH]c34)cc2F)no1.CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCCC6)cn5)[nH]c34)cc2F)no1.CC1CN(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC(C)O1.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-(1,2-dihydroxyethyl)-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-[4-[2-[5-(2,6-dimethylmorpholin-4-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-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?

The InChIKey is JRHXLPUNNGLFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN7O3.C30H32FN9O2.C30H30FN7O2.C28H27FN6O4/c1-18-16-40(17-19(2)42-18)22-9-10-25(35-15-22)28-36-27-23(12-13-34-30(27)37-28)21-7-6-20(24(33)14-21)8-11-26(41)29-38-31(43-39-29)32(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;1-28(2,3)27-34-25(35-39-27)21(37)9-7-15-4-5-16(12-19(15)29)18-10-11-30-26-23(18)32-24(33-26)20-8-6-17(13-31-20)22(38)14-36/h6-7,9-10,12-15,18-19H,8,11,16-17H2,1-5H3,(H,34,36,37);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);4-6,8,10-13,22,36,38H,7,9,14H2,1-3H3,(H,30,32,33).

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-(1,2-dihydroxyethyl)-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-[4-[2-[5-(2,6-dimethylmorpholin-4-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-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-(1,2-dihydroxyethyl)-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-[4-[2-[5-(2,6-dimethylmorpholin-4-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-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one has a molecular weight of 2223.49 g/mol, XLogP of 20.39, 28 rotatable bonds, 7 hydrogen bond donors, and 35 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-(1,2-dihydroxyethyl)-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-[4-[2-[5-(2,6-dimethylmorpholin-4-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-pyrrolidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is sourced from PubChem (CID 159000830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).