3-tert-butyl-N-[[2-chloro-4-[2-(2-methyl-3-oxopyridazin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

C25H23ClN8O3 — CID 171803773

About 3-tert-butyl-N-[[2-chloro-4-[2-(2-methyl-3-oxopyridazin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

3-tert-butyl-N-[[2-chloro-4-[2-(2-methyl-3-oxopyridazin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 171803773) has the molecular formula C25H23ClN8O3 and a molecular weight of 518.97 g/mol. Its IUPAC name is 3-tert-butyl-N-[[2-chloro-4-[2-(2-methyl-3-oxopyridazin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-N-[[2-chloro-4-[2-(2-methyl-3-oxopyridazin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 171803773
• Molecular Formula: C25H23ClN8O3
• Molecular Weight: 518.97 g/mol
• Exact Mass: 518.16
• IUPAC Name: 3-tert-butyl-N-[[2-chloro-4-[2-(2-methyl-3-oxopyridazin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
• SMILES: Cn1nccc(-c2nc3nccc(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(Cl)c4)c3[nH]2)c1=O
• InChI: InChI=1S/C25H23ClN8O3/c1-25(2,3)24-32-22(37-33-24)21(35)28-12-14-6-5-13(11-17(14)26)15-7-9-27-20-18(15)30-19(31-20)16-8-10-29-34(4)23(16)36/h5-11H,12H2,1-4H3,(H,28,35)(H,27,30,31)
• InChIKey: FMQQVWMBCLTIOW-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 144.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.97
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[[2-chloro-4-[2-(2-methyl-3-oxopyridazin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of 3-tert-butyl-N-[[2-chloro-4-[2-(2-methyl-3-oxopyridazin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 171803773) is 3-tert-butyl-N-[[2-chloro-4-[2-(2-methyl-3-oxopyridazin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for 3-tert-butyl-N-[[2-chloro-4-[2-(2-methyl-3-oxopyridazin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for 3-tert-butyl-N-[[2-chloro-4-[2-(2-methyl-3-oxopyridazin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is Cn1nccc(-c2nc3nccc(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(Cl)c4)c3[nH]2)c1=O.

What is the InChIKey of 3-tert-butyl-N-[[2-chloro-4-[2-(2-methyl-3-oxopyridazin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is FMQQVWMBCLTIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN8O3/c1-25(2,3)24-32-22(37-33-24)21(35)28-12-14-6-5-13(11-17(14)26)15-7-9-27-20-18(15)30-19(31-20)16-8-10-29-34(4)23(16)36/h5-11H,12H2,1-4H3,(H,28,35)(H,27,30,31).

What are the key properties of 3-tert-butyl-N-[[2-chloro-4-[2-(2-methyl-3-oxopyridazin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?

3-tert-butyl-N-[[2-chloro-4-[2-(2-methyl-3-oxopyridazin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 518.97 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-[[2-chloro-4-[2-(2-methyl-3-oxopyridazin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 171803773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).