N-[[4-[6-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,5-dimethylpyrazol-1-yl]propyl]-2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole-5-carboxamide

C55H58F2N16O4 — CID 171803693

About N-[[4-[6-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,5-dimethylpyrazol-1-yl]propyl]-2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole-5-carboxamide

N-[[4-[6-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,5-dimethylpyrazol-1-yl]propyl]-2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 171803693) has the molecular formula C55H58F2N16O4 and a molecular weight of 1045.17 g/mol. Its IUPAC name is N-[[4-[6-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,5-dimethylpyrazol-1-yl]propyl]-2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[6-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,5-dimethylpyrazol-1-yl]propyl]-2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 171803693
• Molecular Formula: C55H58F2N16O4
• Molecular Weight: 1045.17 g/mol
• Exact Mass: 1044.48
• IUPAC Name: N-[[4-[6-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,5-dimethylpyrazol-1-yl]propyl]-2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
• SMILES: Cc1nn(C(C)C)c(C)c1-c1nc2ncc(CC(C)n3nc(C)c(-c4nc5nccc(-c6ccc(CNC(=O)c7nc(C(C)(C)C)no7)c(F)c6)c5[nH]4)c3C)c(-c3ccc(CNC(=O)c4nc(C(C)C)no4)c(F)c3)c2[nH]1
• InChI: InChI=1S/C55H58F2N16O4/c1-25(2)45-66-52(76-70-45)50(74)60-23-35-16-14-33(21-39(35)57)42-36(24-59-49-44(42)63-47(65-49)40-28(6)68-72(26(3)4)30(40)8)19-27(5)73-31(9)41(29(7)69-73)46-62-43-37(17-18-58-48(43)64-46)32-13-15-34(38(56)20-32)22-61-51(75)53-67-54(71-77-53)55(10,11)12/h13-18,20-21,24-27H,19,22-23H2,1-12H3,(H,60,74)(H,61,75)(H,58,62,64)(H,59,63,65)
• InChIKey: XODDCIKQBFULPX-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 254.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1045.17
LogP ≤ 5	10.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[[4-[6-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,5-dimethylpyrazol-1-yl]propyl]-2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of N-[[4-[6-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,5-dimethylpyrazol-1-yl]propyl]-2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole-5-carboxamide (CID 171803693) is N-[[4-[6-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,5-dimethylpyrazol-1-yl]propyl]-2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for N-[[4-[6-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,5-dimethylpyrazol-1-yl]propyl]-2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for N-[[4-[6-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,5-dimethylpyrazol-1-yl]propyl]-2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole-5-carboxamide is Cc1nn(C(C)C)c(C)c1-c1nc2ncc(CC(C)n3nc(C)c(-c4nc5nccc(-c6ccc(CNC(=O)c7nc(C(C)(C)C)no7)c(F)c6)c5[nH]4)c3C)c(-c3ccc(CNC(=O)c4nc(C(C)C)no4)c(F)c3)c2[nH]1.

What is the InChIKey of N-[[4-[6-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,5-dimethylpyrazol-1-yl]propyl]-2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is XODDCIKQBFULPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H58F2N16O4/c1-25(2)45-66-52(76-70-45)50(74)60-23-35-16-14-33(21-39(35)57)42-36(24-59-49-44(42)63-47(65-49)40-28(6)68-72(26(3)4)30(40)8)19-27(5)73-31(9)41(29(7)69-73)46-62-43-37(17-18-58-48(43)64-46)32-13-15-34(38(56)20-32)22-61-51(75)53-67-54(71-77-53)55(10,11)12/h13-18,20-21,24-27H,19,22-23H2,1-12H3,(H,60,74)(H,61,75)(H,58,62,64)(H,59,63,65).

What are the key properties of N-[[4-[6-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,5-dimethylpyrazol-1-yl]propyl]-2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?

N-[[4-[6-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,5-dimethylpyrazol-1-yl]propyl]-2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 1045.17 g/mol, XLogP of 10.23, 15 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[6-[2-[4-[7-[4-[[(3-tert-butyl-1,2,4-oxadiazole-5-carbonyl)amino]methyl]-3-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-3,5-dimethylpyrazol-1-yl]propyl]-2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 171803693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).