5-tert-butyl-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine

C52H58N16O5 — CID 159748858

About 5-tert-butyl-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine

5-tert-butyl-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine (PubChem CID 159748858) has the molecular formula C52H58N16O5 and a molecular weight of 987.14 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine
• PubChem CID: 159748858
• Molecular Formula: C52H58N16O5
• Molecular Weight: 987.14 g/mol
• Exact Mass: 986.48
• IUPAC Name: 5-tert-butyl-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine
• SMILES: CCOC(=O)c1noc(C(C)(C)C)n1.Cc1c(CN)cccc1-c1ccnc2nc(-c3cnn(C)c3)[nH]c12.Cc1c(CNC(=O)c2noc(C(C)(C)C)n2)cccc1-c1ccnc2nc(-c3cnn(C)c3)[nH]c12
• InChI: InChI=1S/C25H26N8O2.C18H18N6.C9H14N2O3/c1-14-15(11-27-23(34)22-31-24(35-32-22)25(2,3)4)7-6-8-17(14)18-9-10-26-21-19(18)29-20(30-21)16-12-28-33(5)13-16;1-11-12(8-19)4-3-5-14(11)15-6-7-20-18-16(15)22-17(23-18)13-9-21-24(2)10-13;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4/h6-10,12-13H,11H2,1-5H3,(H,27,34)(H,26,29,30);3-7,9-10H,8,19H2,1-2H3,(H,20,22,23);5H2,1-4H3
• InChIKey: NDJUWMIKESFSSG-UHFFFAOYSA-N
• XLogP: 8.28
• TPSA: 278.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	987.14
LogP ≤ 5	8.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of 5-tert-butyl-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine (CID 159748858) is 5-tert-butyl-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine.

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

The canonical SMILES for 5-tert-butyl-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine is CCOC(=O)c1noc(C(C)(C)C)n1.Cc1c(CN)cccc1-c1ccnc2nc(-c3cnn(C)c3)[nH]c12.Cc1c(CNC(=O)c2noc(C(C)(C)C)n2)cccc1-c1ccnc2nc(-c3cnn(C)c3)[nH]c12.

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

The InChIKey is NDJUWMIKESFSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2.C18H18N6.C9H14N2O3/c1-14-15(11-27-23(34)22-31-24(35-32-22)25(2,3)4)7-6-8-17(14)18-9-10-26-21-19(18)29-20(30-21)16-12-28-33(5)13-16;1-11-12(8-19)4-3-5-14(11)15-6-7-20-18-16(15)22-17(23-18)13-9-21-24(2)10-13;1-5-13-7(12)6-10-8(14-11-6)9(2,3)4/h6-10,12-13H,11H2,1-5H3,(H,27,34)(H,26,29,30);3-7,9-10H,8,19H2,1-2H3,(H,20,22,23);5H2,1-4H3.

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

5-tert-butyl-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine has a molecular weight of 987.14 g/mol, XLogP of 8.28, 10 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate;[2-methyl-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methanamine is sourced from PubChem (CID 159748858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).