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

C23H23FN6O2 — CID 121249771

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

5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249771) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 121249771
• Molecular Formula: C23H23FN6O2
• Molecular Weight: 434.48 g/mol
• Exact Mass: 434.19
• IUPAC Name: 5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(C5CC5)[nH]c34)cc2F)no1
• InChI: InChI=1S/C23H23FN6O2/c1-23(2,3)22-29-20(30-32-22)21(31)26-11-14-7-6-13(10-16(14)24)15-8-9-25-19-17(15)27-18(28-19)12-4-5-12/h6-10,12H,4-5,11H2,1-3H3,(H,26,31)(H,25,27,28)
• InChIKey: JWMSHZKKQRGURD-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 109.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.48
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249771) is 5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

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

The canonical SMILES for 5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is CC(C)(C)c1nc(C(=O)NCc2ccc(-c3ccnc4nc(C5CC5)[nH]c34)cc2F)no1.

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

The InChIKey is JWMSHZKKQRGURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-23(2,3)22-29-20(30-32-22)21(31)26-11-14-7-6-13(10-16(14)24)15-8-9-25-19-17(15)27-18(28-19)12-4-5-12/h6-10,12H,4-5,11H2,1-3H3,(H,26,31)(H,25,27,28).

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

5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[4-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-7-yl)-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).