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

C27H26FN7O4 — CID 121249854

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

5-tert-butyl-N-[[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249854) has the molecular formula C27H26FN7O4 and a molecular weight of 531.55 g/mol. Its IUPAC name is 5-tert-butyl-N-[[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-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-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 121249854
• Molecular Formula: C27H26FN7O4
• Molecular Weight: 531.55 g/mol
• Exact Mass: 531.20
• IUPAC Name: 5-tert-butyl-N-[[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-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(-c5ccc(C(O)CO)cn5)[nH]c34)cc2F)no1
• InChI: InChI=1S/C27H26FN7O4/c1-27(2,3)26-34-24(35-39-26)25(38)31-11-15-5-4-14(10-18(15)28)17-8-9-29-23-21(17)32-22(33-23)19-7-6-16(12-30-19)20(37)13-36/h4-10,12,20,36-37H,11,13H2,1-3H3,(H,31,38)(H,29,32,33)
• InChIKey: TUEUVUWRSYHXPD-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 162.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.55
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-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-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249854) is 5-tert-butyl-N-[[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-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-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-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-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-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(-c5ccc(C(O)CO)cn5)[nH]c34)cc2F)no1.

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

The InChIKey is TUEUVUWRSYHXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O4/c1-27(2,3)26-34-24(35-39-26)25(38)31-11-15-5-4-14(10-18(15)28)17-8-9-29-23-21(17)32-22(33-23)19-7-6-16(12-30-19)20(37)13-36/h4-10,12,20,36-37H,11,13H2,1-3H3,(H,31,38)(H,29,32,33).

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

5-tert-butyl-N-[[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 531.55 g/mol, XLogP of 3.46, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[4-[2-[5-(1,2-dihydroxyethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).