5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

C25H26N8O2 — CID 168885296

About 5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 168885296) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 168885296
• Molecular Formula: C25H26N8O2
• Molecular Weight: 470.54 g/mol
• Exact Mass: 470.22
• IUPAC Name: 5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: Cc1cc(-c2nc(-c3cnn(C)c3)cc3nccn23)ccc1CNC(=O)c1noc(C(C)(C)C)n1
• InChI: InChI=1S/C25H26N8O2/c1-15-10-16(6-7-17(15)12-27-23(34)21-30-24(35-31-21)25(2,3)4)22-29-19(18-13-28-32(5)14-18)11-20-26-8-9-33(20)22/h6-11,13-14H,12H2,1-5H3,(H,27,34)
• InChIKey: ZPSXEDHDNFQCTN-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 116.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.54
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of 5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 168885296) is 5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for 5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for 5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is Cc1cc(-c2nc(-c3cnn(C)c3)cc3nccn23)ccc1CNC(=O)c1noc(C(C)(C)C)n1.

What is the InChIKey of 5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

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

What are the key properties of 5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 470.54 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[2-methyl-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 168885296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).