4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide;3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one

C115H119F4N27O7 — CID 161307143

About 4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide;3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one

4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide;3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one (PubChem CID 161307143) has the molecular formula C115H119F4N27O7 and a molecular weight of 2067.39 g/mol. Its IUPAC name is 4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide;3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide;3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one
• PubChem CID: 161307143
• Molecular Formula: C115H119F4N27O7
• Molecular Weight: 2067.39 g/mol
• Exact Mass: 2065.97
• IUPAC Name: 4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide;3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one
• SMILES: CN(C)c1ccc(-c2nc3nccc(-c4ccc(CCC(=O)N5CC(OC(C)(C)C)C5)c(F)c4)c3[nH]2)nc1.CN(C)c1ccc(-c2nc3nccc(-c4ccc(CCC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c3[nH]2)nc1.CN(C)c1ccc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)c(F)c4)c3[nH]2)nc1.CN(C)c1ccc(-c2nc3nccc(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(F)c4)c3[nH]2)nc1
• InChI: InChI=1S/C31H31FN6O.C29H33FN6O2.C28H28FN7O2.C27H27FN8O2/c1-31(2,3)22-10-8-19(9-11-22)30(39)35-17-21-7-6-20(16-25(21)32)24-14-15-33-29-27(24)36-28(37-29)26-13-12-23(18-34-26)38(4)5;1-29(2,3)38-21-16-36(17-21)25(37)11-8-18-6-7-19(14-23(18)30)22-12-13-31-28-26(22)33-27(34-28)24-10-9-20(15-32-24)35(4)5;1-28(2,3)27-34-25(35-38-27)22(37)11-8-16-6-7-17(14-20(16)29)19-12-13-30-26-23(19)32-24(33-26)21-10-9-18(15-31-21)36(4)5;1-27(2,3)26-34-25(38-35-26)24(37)31-13-16-7-6-15(12-19(16)28)18-10-11-29-23-21(18)32-22(33-23)20-9-8-17(14-30-20)36(4)5/h6-16,18H,17H2,1-5H3,(H,35,39)(H,33,36,37);6-7,9-10,12-15,21H,8,11,16-17H2,1-5H3,(H,31,33,34);6-7,9-10,12-15H,8,11H2,1-5H3,(H,30,32,33);6-12,14H,13H2,1-5H3,(H,31,37)(H,29,32,33)
• InChIKey: VIKDHGAQBFBAIZ-UHFFFAOYSA-N
• XLogP: 20.86
• TPSA: 413.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2067.39
LogP ≤ 5	20.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide;3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one?

The IUPAC name of 4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide;3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one (CID 161307143) is 4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide;3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one.

What is the SMILES notation for 4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide;3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one?

The canonical SMILES for 4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide;3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one is CN(C)c1ccc(-c2nc3nccc(-c4ccc(CCC(=O)N5CC(OC(C)(C)C)C5)c(F)c4)c3[nH]2)nc1.CN(C)c1ccc(-c2nc3nccc(-c4ccc(CCC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c3[nH]2)nc1.CN(C)c1ccc(-c2nc3nccc(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)c(F)c4)c3[nH]2)nc1.CN(C)c1ccc(-c2nc3nccc(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(F)c4)c3[nH]2)nc1.

What is the InChIKey of 4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide;3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one?

The InChIKey is VIKDHGAQBFBAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31FN6O.C29H33FN6O2.C28H28FN7O2.C27H27FN8O2/c1-31(2,3)22-10-8-19(9-11-22)30(39)35-17-21-7-6-20(16-25(21)32)24-14-15-33-29-27(24)36-28(37-29)26-13-12-23(18-34-26)38(4)5;1-29(2,3)38-21-16-36(17-21)25(37)11-8-18-6-7-19(14-23(18)30)22-12-13-31-28-26(22)33-27(34-28)24-10-9-20(15-32-24)35(4)5;1-28(2,3)27-34-25(35-38-27)22(37)11-8-16-6-7-17(14-20(16)29)19-12-13-30-26-23(19)32-24(33-26)21-10-9-18(15-31-21)36(4)5;1-27(2,3)26-34-25(38-35-26)24(37)31-13-16-7-6-15(12-19(16)28)18-10-11-29-23-21(18)32-22(33-23)20-9-8-17(14-30-20)36(4)5/h6-16,18H,17H2,1-5H3,(H,35,39)(H,33,36,37);6-7,9-10,12-15,21H,8,11,16-17H2,1-5H3,(H,31,33,34);6-7,9-10,12-15H,8,11H2,1-5H3,(H,30,32,33);6-12,14H,13H2,1-5H3,(H,31,37)(H,29,32,33).

What are the key properties of 4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide;3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one?

4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide;3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one has a molecular weight of 2067.39 g/mol, XLogP of 20.86, 26 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]benzamide;3-tert-butyl-N-[[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]propan-1-one;3-[4-[2-[5-(dimethylamino)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]-1-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]propan-1-one is sourced from PubChem (CID 161307143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).