1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(4,4-difluoropiperidin-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-(4-hydroxypiperidin-1-yl)-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one

C125H126F6N28O9 — CID 160657779

About 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(4,4-difluoropiperidin-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-(4-hydroxypiperidin-1-yl)-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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-piperidin-1-yl-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-[4-[2-[5-(4,4-difluoropiperidin-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-(4-hydroxypiperidin-1-yl)-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (PubChem CID 160657779) has the molecular formula C125H126F6N28O9 and a molecular weight of 2278.56 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(4,4-difluoropiperidin-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-(4-hydroxypiperidin-1-yl)-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.

Molecular Properties

• Compound Name: 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(4,4-difluoropiperidin-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-(4-hydroxypiperidin-1-yl)-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
• PubChem CID: 160657779
• Molecular Formula: C125H126F6N28O9
• Molecular Weight: 2278.56 g/mol
• Exact Mass: 2277.02
• IUPAC Name: 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(4,4-difluoropiperidin-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-(4-hydroxypiperidin-1-yl)-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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-piperidin-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(N6CCC(F)(F)CC6)cn5)[nH]c34)cc2F)no1.CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(O)CC6)cn5)[nH]c34)cc2F)no1.CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCCCC6)cn5)[nH]c34)cc2F)no1.CN1CC=C(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1
• InChI: InChI=1S/C32H32FN7O2.C31H30F3N7O2.C31H32FN7O3.C31H32FN7O2/c1-32(2,3)31-38-29(39-42-31)26(41)10-8-20-5-6-21(17-24(20)33)23-11-14-34-30-27(23)36-28(37-30)25-9-7-22(18-35-25)19-12-15-40(4)16-13-19;1-30(2,3)29-39-27(40-43-29)24(42)9-6-18-4-5-19(16-22(18)32)21-10-13-35-28-25(21)37-26(38-28)23-8-7-20(17-36-23)41-14-11-31(33,34)12-15-41;1-31(2,3)30-37-28(38-42-30)25(41)9-6-18-4-5-19(16-23(18)32)22-10-13-33-29-26(22)35-27(36-29)24-8-7-20(17-34-24)39-14-11-21(40)12-15-39;1-31(2,3)30-37-28(38-41-30)25(40)12-9-19-7-8-20(17-23(19)32)22-13-14-33-29-26(22)35-27(36-29)24-11-10-21(18-34-24)39-15-5-4-6-16-39/h5-7,9,11-12,14,17-18H,8,10,13,15-16H2,1-4H3,(H,34,36,37);4-5,7-8,10,13,16-17H,6,9,11-12,14-15H2,1-3H3,(H,35,37,38);4-5,7-8,10,13,16-17,21,40H,6,9,11-12,14-15H2,1-3H3,(H,33,35,36);7-8,10-11,13-14,17-18H,4-6,9,12,15-16H2,1-3H3,(H,33,35,36)
• InChIKey: RLGVBSFMCWXBCK-UHFFFAOYSA-N
• XLogP: 24.19
• TPSA: 474.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2278.56
LogP ≤ 5	24.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(4,4-difluoropiperidin-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-(4-hydroxypiperidin-1-yl)-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?

The IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(4,4-difluoropiperidin-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-(4-hydroxypiperidin-1-yl)-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (CID 160657779) is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(4,4-difluoropiperidin-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-(4-hydroxypiperidin-1-yl)-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.

What is the SMILES notation for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(4,4-difluoropiperidin-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-(4-hydroxypiperidin-1-yl)-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?

The canonical SMILES for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(4,4-difluoropiperidin-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-(4-hydroxypiperidin-1-yl)-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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-piperidin-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(N6CCC(F)(F)CC6)cn5)[nH]c34)cc2F)no1.CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(O)CC6)cn5)[nH]c34)cc2F)no1.CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCCCC6)cn5)[nH]c34)cc2F)no1.CN1CC=C(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1.

What is the InChIKey of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(4,4-difluoropiperidin-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-(4-hydroxypiperidin-1-yl)-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?

The InChIKey is RLGVBSFMCWXBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN7O2.C31H30F3N7O2.C31H32FN7O3.C31H32FN7O2/c1-32(2,3)31-38-29(39-42-31)26(41)10-8-20-5-6-21(17-24(20)33)23-11-14-34-30-27(23)36-28(37-30)25-9-7-22(18-35-25)19-12-15-40(4)16-13-19;1-30(2,3)29-39-27(40-43-29)24(42)9-6-18-4-5-19(16-22(18)32)21-10-13-35-28-25(21)37-26(38-28)23-8-7-20(17-36-23)41-14-11-31(33,34)12-15-41;1-31(2,3)30-37-28(38-42-30)25(41)9-6-18-4-5-19(16-23(18)32)22-10-13-33-29-26(22)35-27(36-29)24-8-7-20(17-34-24)39-14-11-21(40)12-15-39;1-31(2,3)30-37-28(38-41-30)25(40)12-9-19-7-8-20(17-23(19)32)22-13-14-33-29-26(22)35-27(36-29)24-11-10-21(18-34-24)39-15-5-4-6-16-39/h5-7,9,11-12,14,17-18H,8,10,13,15-16H2,1-4H3,(H,34,36,37);4-5,7-8,10,13,16-17H,6,9,11-12,14-15H2,1-3H3,(H,35,37,38);4-5,7-8,10,13,16-17,21,40H,6,9,11-12,14-15H2,1-3H3,(H,33,35,36);7-8,10-11,13-14,17-18H,4-6,9,12,15-16H2,1-3H3,(H,33,35,36).

What are the key properties of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(4,4-difluoropiperidin-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-(4-hydroxypiperidin-1-yl)-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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-piperidin-1-yl-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-[4-[2-[5-(4,4-difluoropiperidin-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-(4-hydroxypiperidin-1-yl)-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one has a molecular weight of 2278.56 g/mol, XLogP of 24.19, 28 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(4,4-difluoropiperidin-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-(4-hydroxypiperidin-1-yl)-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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-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-piperidin-1-yl-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is sourced from PubChem (CID 160657779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).