1-(3-tert-butyl-1,2,4-oxadiazol-5-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-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one

C120H119F6N27O12 — CID 159087490

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-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-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one

1-(3-tert-butyl-1,2,4-oxadiazol-5-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-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (PubChem CID 159087490) has the molecular formula C120H119F6N27O12 and a molecular weight of 2245.44 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-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-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.

Molecular Properties

• Compound Name: 1-(3-tert-butyl-1,2,4-oxadiazol-5-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-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
• PubChem CID: 159087490
• Molecular Formula: C120H119F6N27O12
• Molecular Weight: 2245.44 g/mol
• Exact Mass: 2243.94
• IUPAC Name: 1-(3-tert-butyl-1,2,4-oxadiazol-5-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-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one
• SMILES: CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CC[C@H](O)[C@@H](O)C6)cn5)[nH]c34)cc2F)no1.CC(C)(C)c1noc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(CN6CCOCC6)cn5)[nH]c34)cc2F)n1.CC(C)(C)c1noc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(F)(F)CC6)cn5)[nH]c34)cc2F)n1.COc1ccc(-c2nc3nccc(-c4ccc(CCC(=O)c5nc(C(C)(C)C)no5)c(F)c4)c3[nH]2)nc1
• InChI: InChI=1S/C31H30F3N7O2.C31H32FN7O4.C31H32FN7O3.C27H25FN6O3/c1-30(2,3)29-39-28(43-40-29)24(42)9-6-18-4-5-19(16-22(18)32)21-10-13-35-27-25(21)37-26(38-27)23-8-7-20(17-36-23)41-14-11-31(33,34)12-15-41;1-31(2,3)30-37-28(38-43-30)24(41)9-6-17-4-5-18(14-21(17)32)20-10-12-33-29-26(20)35-27(36-29)22-8-7-19(15-34-22)39-13-11-23(40)25(42)16-39;1-31(2,3)30-37-29(42-38-30)25(40)9-7-20-5-6-21(16-23(20)32)22-10-11-33-28-26(22)35-27(36-28)24-8-4-19(17-34-24)18-39-12-14-41-15-13-39;1-27(2,3)26-33-25(37-34-26)21(35)10-7-15-5-6-16(13-19(15)28)18-11-12-29-24-22(18)31-23(32-24)20-9-8-17(36-4)14-30-20/h4-5,7-8,10,13,16-17H,6,9,11-12,14-15H2,1-3H3,(H,35,37,38);4-5,7-8,10,12,14-15,23,25,40,42H,6,9,11,13,16H2,1-3H3,(H,33,35,36);4-6,8,10-11,16-17H,7,9,12-15,18H2,1-3H3,(H,33,35,36);5-6,8-9,11-14H,7,10H2,1-4H3,(H,29,31,32)/t;23-,25-;;/m.0../s1
• InChIKey: KBPXBXJMYRCQBB-GSTWGJAPSA-N
• XLogP: 21.30
• TPSA: 510.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 29
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2245.44
LogP ≤ 5	21.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-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-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?

The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-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-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one (CID 159087490) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-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-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one.

What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-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-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?

The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-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-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is CC(C)(C)c1nc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CC[C@H](O)[C@@H](O)C6)cn5)[nH]c34)cc2F)no1.CC(C)(C)c1noc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(CN6CCOCC6)cn5)[nH]c34)cc2F)n1.CC(C)(C)c1noc(C(=O)CCc2ccc(-c3ccnc4nc(-c5ccc(N6CCC(F)(F)CC6)cn5)[nH]c34)cc2F)n1.COc1ccc(-c2nc3nccc(-c4ccc(CCC(=O)c5nc(C(C)(C)C)no5)c(F)c4)c3[nH]2)nc1.

What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-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-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?

The InChIKey is KBPXBXJMYRCQBB-GSTWGJAPSA-N. The full InChI is InChI=1S/C31H30F3N7O2.C31H32FN7O4.C31H32FN7O3.C27H25FN6O3/c1-30(2,3)29-39-28(43-40-29)24(42)9-6-18-4-5-19(16-22(18)32)21-10-13-35-27-25(21)37-26(38-27)23-8-7-20(17-36-23)41-14-11-31(33,34)12-15-41;1-31(2,3)30-37-28(38-43-30)24(41)9-6-17-4-5-18(14-21(17)32)20-10-12-33-29-26(20)35-27(36-29)22-8-7-19(15-34-22)39-13-11-23(40)25(42)16-39;1-31(2,3)30-37-29(42-38-30)25(40)9-7-20-5-6-21(16-23(20)32)22-10-11-33-28-26(22)35-27(36-28)24-8-4-19(17-34-24)18-39-12-14-41-15-13-39;1-27(2,3)26-33-25(37-34-26)21(35)10-7-15-5-6-16(13-19(15)28)18-11-12-29-24-22(18)31-23(32-24)20-9-8-17(36-4)14-30-20/h4-5,7-8,10,13,16-17H,6,9,11-12,14-15H2,1-3H3,(H,35,37,38);4-5,7-8,10,12,14-15,23,25,40,42H,6,9,11,13,16H2,1-3H3,(H,33,35,36);4-6,8,10-11,16-17H,7,9,12-15,18H2,1-3H3,(H,33,35,36);5-6,8-9,11-14H,7,10H2,1-4H3,(H,29,31,32)/t;23-,25-;;/m.0../s1.

What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-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-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one?

1-(3-tert-butyl-1,2,4-oxadiazol-5-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-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one has a molecular weight of 2245.44 g/mol, XLogP of 21.30, 29 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-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-[4-[2-[5-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-(5-methoxy-2-pyridinyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-[2-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one is sourced from PubChem (CID 159087490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).