1-(2-tert-butyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-[4-[2-[5-(dimethylamino)-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-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;8-cyclopropyl-6-fluoro-4-[[4-[2-[5-(2-hydroxybutoxy)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-methylphenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one

C127H132F4N26O10 — CID 157321443

About 1-(2-tert-butyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-[4-[2-[5-(dimethylamino)-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-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;8-cyclopropyl-6-fluoro-4-[[4-[2-[5-(2-hydroxybutoxy)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-methylphenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one

1-(2-tert-butyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-[4-[2-[5-(dimethylamino)-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-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;8-cyclopropyl-6-fluoro-4-[[4-[2-[5-(2-hydroxybutoxy)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-methylphenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one (PubChem CID 157321443) has the molecular formula C127H132F4N26O10 and a molecular weight of 2258.62 g/mol. Its IUPAC name is 1-(2-tert-butyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-[4-[2-[5-(dimethylamino)-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-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;8-cyclopropyl-6-fluoro-4-[[4-[2-[5-(2-hydroxybutoxy)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-methylphenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one.

Molecular Properties

• Compound Name: 1-(2-tert-butyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-[4-[2-[5-(dimethylamino)-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-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;8-cyclopropyl-6-fluoro-4-[[4-[2-[5-(2-hydroxybutoxy)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-methylphenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one
• PubChem CID: 157321443
• Molecular Formula: C127H132F4N26O10
• Molecular Weight: 2258.62 g/mol
• Exact Mass: 2257.06
• IUPAC Name: 1-(2-tert-butyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-[4-[2-[5-(dimethylamino)-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-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;8-cyclopropyl-6-fluoro-4-[[4-[2-[5-(2-hydroxybutoxy)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-methylphenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one
• SMILES: CC1CCN(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1.CCC(O)COc1ccc(-c2nc3nccc(-c4ccc(CN5CCOc6cc(C7CC7)cc(F)c6C5=O)c(C)c4)c3[nH]2)nc1.CN(C)c1ccc(-c2nc3nccc(-c4ccc(CCC(=O)C5=NNC(C(C)(C)C)O5)c(F)c4)c3[nH]2)nc1.CN1CCC(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1
• InChI: InChI=1S/C35H34FN5O4.2C32H34FN7O2.C28H30FN7O2/c1-3-25(42)19-45-26-8-9-29(38-17-26)33-39-32-27(10-11-37-34(32)40-33)22-6-7-23(20(2)14-22)18-41-12-13-44-30-16-24(21-4-5-21)15-28(36)31(30)35(41)43;1-19-12-15-40(16-13-19)22-8-9-25(35-18-22)28-36-27-23(11-14-34-30(27)37-28)21-6-5-20(24(33)17-21)7-10-26(41)29-38-31(42-39-29)32(2,3)4;1-32(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;1-28(2,3)27-35-34-26(38-27)22(37)11-8-16-6-7-17(14-20(16)29)19-12-13-30-25-23(19)32-24(33-25)21-10-9-18(15-31-21)36(4)5/h6-11,14-17,21,25,42H,3-5,12-13,18-19H2,1-2H3,(H,37,39,40);5-6,8-9,11,14,17-19H,7,10,12-13,15-16H2,1-4H3,(H,34,36,37);5-7,9,11,14,17-19H,8,10,12-13,15-16H2,1-4H3,(H,34,36,37);6-7,9-10,12-15,27,35H,8,11H2,1-5H3,(H,30,32,33)
• InChIKey: BEFCQHLMROWYFD-UHFFFAOYSA-N
• XLogP: 23.59
• TPSA: 449.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 30
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2258.62
LogP ≤ 5	23.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-[4-[2-[5-(dimethylamino)-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-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;8-cyclopropyl-6-fluoro-4-[[4-[2-[5-(2-hydroxybutoxy)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-methylphenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one?

The IUPAC name of 1-(2-tert-butyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-[4-[2-[5-(dimethylamino)-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-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;8-cyclopropyl-6-fluoro-4-[[4-[2-[5-(2-hydroxybutoxy)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-methylphenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one (CID 157321443) is 1-(2-tert-butyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-[4-[2-[5-(dimethylamino)-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-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;8-cyclopropyl-6-fluoro-4-[[4-[2-[5-(2-hydroxybutoxy)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-methylphenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one.

What is the SMILES notation for 1-(2-tert-butyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-[4-[2-[5-(dimethylamino)-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-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;8-cyclopropyl-6-fluoro-4-[[4-[2-[5-(2-hydroxybutoxy)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-methylphenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one?

The canonical SMILES for 1-(2-tert-butyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-[4-[2-[5-(dimethylamino)-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-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;8-cyclopropyl-6-fluoro-4-[[4-[2-[5-(2-hydroxybutoxy)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-methylphenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one is CC1CCN(c2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1.CCC(O)COc1ccc(-c2nc3nccc(-c4ccc(CN5CCOc6cc(C7CC7)cc(F)c6C5=O)c(C)c4)c3[nH]2)nc1.CN(C)c1ccc(-c2nc3nccc(-c4ccc(CCC(=O)C5=NNC(C(C)(C)C)O5)c(F)c4)c3[nH]2)nc1.CN1CCC(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-(2-tert-butyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-[4-[2-[5-(dimethylamino)-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-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;8-cyclopropyl-6-fluoro-4-[[4-[2-[5-(2-hydroxybutoxy)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-methylphenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one?

The InChIKey is BEFCQHLMROWYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34FN5O4.2C32H34FN7O2.C28H30FN7O2/c1-3-25(42)19-45-26-8-9-29(38-17-26)33-39-32-27(10-11-37-34(32)40-33)22-6-7-23(20(2)14-22)18-41-12-13-44-30-16-24(21-4-5-21)15-28(36)31(30)35(41)43;1-19-12-15-40(16-13-19)22-8-9-25(35-18-22)28-36-27-23(11-14-34-30(27)37-28)21-6-5-20(24(33)17-21)7-10-26(41)29-38-31(42-39-29)32(2,3)4;1-32(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;1-28(2,3)27-35-34-26(38-27)22(37)11-8-16-6-7-17(14-20(16)29)19-12-13-30-25-23(19)32-24(33-25)21-10-9-18(15-31-21)36(4)5/h6-11,14-17,21,25,42H,3-5,12-13,18-19H2,1-2H3,(H,37,39,40);5-6,8-9,11,14,17-19H,7,10,12-13,15-16H2,1-4H3,(H,34,36,37);5-7,9,11,14,17-19H,8,10,12-13,15-16H2,1-4H3,(H,34,36,37);6-7,9-10,12-15,27,35H,8,11H2,1-5H3,(H,30,32,33).

What are the key properties of 1-(2-tert-butyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-[4-[2-[5-(dimethylamino)-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-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;8-cyclopropyl-6-fluoro-4-[[4-[2-[5-(2-hydroxybutoxy)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-methylphenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one?

1-(2-tert-butyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-[4-[2-[5-(dimethylamino)-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-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;8-cyclopropyl-6-fluoro-4-[[4-[2-[5-(2-hydroxybutoxy)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-methylphenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one has a molecular weight of 2258.62 g/mol, XLogP of 23.59, 30 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-tert-butyl-2,3-dihydro-1,3,4-oxadiazol-5-yl)-3-[4-[2-[5-(dimethylamino)-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-methylpiperidin-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-(4-methylpiperidin-1-yl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;8-cyclopropyl-6-fluoro-4-[[4-[2-[5-(2-hydroxybutoxy)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-methylphenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one is sourced from PubChem (CID 157321443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).