5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide

C53H55F2N15O5 — CID 145061613

About 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide

5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 145061613) has the molecular formula C53H55F2N15O5 and a molecular weight of 1020.12 g/mol. Its IUPAC name is 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide
• PubChem CID: 145061613
• Molecular Formula: C53H55F2N15O5
• Molecular Weight: 1020.12 g/mol
• Exact Mass: 1019.45
• IUPAC Name: 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide
• SMILES: CN(C)C(=O)N1CC=C(c2nc3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c3[nH]2)CC1.Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5cc(C(C)(C)C)no5)c(F)c4)c3[nH]2)cn1
• InChI: InChI=1S/C28H31FN8O3.C25H24FN7O2/c1-28(2,3)26-34-24(35-40-26)25(38)31-15-18-7-6-17(14-20(18)29)19-8-11-30-23-21(19)32-22(33-23)16-9-12-37(13-10-16)27(39)36(4)5;1-25(2,3)20-10-19(35-32-20)24(34)28-11-15-6-5-14(9-18(15)26)17-7-8-27-23-21(17)30-22(31-23)16-12-29-33(4)13-16/h6-9,11,14H,10,12-13,15H2,1-5H3,(H,31,38)(H,30,32,33);5-10,12-13H,11H2,1-4H3,(H,28,34)(H,27,30,31)
• InChIKey: QAVBROISMJARRE-UHFFFAOYSA-N
• XLogP: 8.53
• TPSA: 247.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1020.12
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide?

The IUPAC name of 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide (CID 145061613) is 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide?

The canonical SMILES for 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide is CN(C)C(=O)N1CC=C(c2nc3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c3[nH]2)CC1.Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5cc(C(C)(C)C)no5)c(F)c4)c3[nH]2)cn1.

What is the InChIKey of 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide?

The InChIKey is QAVBROISMJARRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN8O3.C25H24FN7O2/c1-28(2,3)26-34-24(35-40-26)25(38)31-15-18-7-6-17(14-20(18)29)19-8-11-30-23-21(19)32-22(33-23)16-9-12-37(13-10-16)27(39)36(4)5;1-25(2,3)20-10-19(35-32-20)24(34)28-11-15-6-5-14(9-18(15)26)17-7-8-27-23-21(17)30-22(31-23)16-12-29-33(4)13-16/h6-9,11,14H,10,12-13,15H2,1-5H3,(H,31,38)(H,30,32,33);5-10,12-13H,11H2,1-4H3,(H,28,34)(H,27,30,31).

What are the key properties of 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide?

5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 1020.12 g/mol, XLogP of 8.53, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[4-[2-[1-(dimethylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 145061613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).