1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(4-methoxy-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(4-tert-butylphenyl)-2-[1-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one

C125H125F2N25O9 — CID 161176733

About 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(4-methoxy-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(4-tert-butylphenyl)-2-[1-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one

1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(4-methoxy-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(4-tert-butylphenyl)-2-[1-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one (PubChem CID 161176733) has the molecular formula C125H125F2N25O9 and a molecular weight of 2159.54 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(4-methoxy-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(4-tert-butylphenyl)-2-[1-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one.

Molecular Properties

• Compound Name: 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(4-methoxy-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(4-tert-butylphenyl)-2-[1-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one
• PubChem CID: 161176733
• Molecular Formula: C125H125F2N25O9
• Molecular Weight: 2159.54 g/mol
• Exact Mass: 2158.01
• IUPAC Name: 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(4-methoxy-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(4-tert-butylphenyl)-2-[1-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one
• SMILES: CN(C)c1ccc(-c2nc3nccc(-c4ccc(C5(CC(=O)c6ccc(C(C)(C)C)cc6)CC5)cc4)c3[nH]2)nc1.CN(C)c1ccc(-c2nc3nccc(-c4cccc(N5CCOc6cc(C7CC7)ccc6C5=O)c4CO)c3[nH]2)nc1.CN1CCN(Cc2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1.COc1ccnc(-c2nc3nccc(-c4ccc(CCC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c3[nH]2)c1
• InChI: InChI=1S/C34H35N5O.C32H35FN8O2.C32H30N6O3.C27H25FN6O3/c1-33(2,3)24-10-8-23(9-11-24)29(40)20-34(17-18-34)25-12-6-22(7-13-25)27-16-19-35-32-30(27)37-31(38-32)28-15-14-26(21-36-28)39(4)5;1-32(2,3)31-38-29(39-43-31)26(42)10-8-21-6-7-22(17-24(21)33)23-11-12-34-30-27(23)36-28(37-30)25-9-5-20(18-35-25)19-41-15-13-40(4)14-16-41;1-37(2)21-9-11-26(34-17-21)30-35-29-23(12-13-33-31(29)36-30)22-4-3-5-27(25(22)18-39)38-14-15-41-28-16-20(19-6-7-19)8-10-24(28)32(38)40;1-27(2,3)26-33-24(34-37-26)21(35)8-7-15-5-6-16(13-19(15)28)18-10-12-30-25-22(18)31-23(32-25)20-14-17(36-4)9-11-29-20/h6-16,19,21H,17-18,20H2,1-5H3,(H,35,37,38);5-7,9,11-12,17-18H,8,10,13-16,19H2,1-4H3,(H,34,36,37);3-5,8-13,16-17,19,39H,6-7,14-15,18H2,1-2H3,(H,33,35,36);5-6,9-14H,7-8H2,1-4H3,(H,30,31,32)
• InChIKey: URXJCYAQIQPEDD-UHFFFAOYSA-N
• XLogP: 22.92
• TPSA: 418.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2159.54
LogP ≤ 5	22.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

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

The IUPAC name of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(4-methoxy-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(4-tert-butylphenyl)-2-[1-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one (CID 161176733) is 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(4-methoxy-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(4-tert-butylphenyl)-2-[1-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one.

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

The canonical SMILES for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(4-methoxy-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(4-tert-butylphenyl)-2-[1-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one is CN(C)c1ccc(-c2nc3nccc(-c4ccc(C5(CC(=O)c6ccc(C(C)(C)C)cc6)CC5)cc4)c3[nH]2)nc1.CN(C)c1ccc(-c2nc3nccc(-c4cccc(N5CCOc6cc(C7CC7)ccc6C5=O)c4CO)c3[nH]2)nc1.CN1CCN(Cc2ccc(-c3nc4nccc(-c5ccc(CCC(=O)c6noc(C(C)(C)C)n6)c(F)c5)c4[nH]3)nc2)CC1.COc1ccnc(-c2nc3nccc(-c4ccc(CCC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c3[nH]2)c1.

What is the InChIKey of 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(4-methoxy-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(4-tert-butylphenyl)-2-[1-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one?

The InChIKey is URXJCYAQIQPEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N5O.C32H35FN8O2.C32H30N6O3.C27H25FN6O3/c1-33(2,3)24-10-8-23(9-11-24)29(40)20-34(17-18-34)25-12-6-22(7-13-25)27-16-19-35-32-30(27)37-31(38-32)28-15-14-26(21-36-28)39(4)5;1-32(2,3)31-38-29(39-43-31)26(42)10-8-21-6-7-22(17-24(21)33)23-11-12-34-30-27(23)36-28(37-30)25-9-5-20(18-35-25)19-41-15-13-40(4)14-16-41;1-37(2)21-9-11-26(34-17-21)30-35-29-23(12-13-33-31(29)36-30)22-4-3-5-27(25(22)18-39)38-14-15-41-28-16-20(19-6-7-19)8-10-24(28)32(38)40;1-27(2,3)26-33-24(34-37-26)21(35)8-7-15-5-6-16(13-19(15)28)18-10-12-30-25-22(18)31-23(32-25)20-14-17(36-4)9-11-29-20/h6-16,19,21H,17-18,20H2,1-5H3,(H,35,37,38);5-7,9,11-12,17-18H,8,10,13-16,19H2,1-4H3,(H,34,36,37);3-5,8-13,16-17,19,39H,6-7,14-15,18H2,1-2H3,(H,33,35,36);5-6,9-14H,7-8H2,1-4H3,(H,30,31,32).

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

1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(4-methoxy-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(4-tert-butylphenyl)-2-[1-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one has a molecular weight of 2159.54 g/mol, XLogP of 22.92, 28 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(4-methoxy-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-methylpiperazin-1-yl)methyl]-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propan-1-one;1-(4-tert-butylphenyl)-2-[1-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]cyclopropyl]ethanone;8-cyclopropyl-4-[3-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-(hydroxymethyl)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one is sourced from PubChem (CID 161176733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).