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

C49H49F2N15O3 — CID 147046104

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

N-[[4-[2-[1-[2-[2-[7-[4-(aminomethyl)-3-fluorophenyl]-2-(1-cyclobutylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]morpholin-4-yl]ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 147046104) has the molecular formula C49H49F2N15O3 and a molecular weight of 934.03 g/mol. Its IUPAC name is N-[[4-[2-[1-[2-[2-[7-[4-(aminomethyl)-3-fluorophenyl]-2-(1-cyclobutylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]morpholin-4-yl]ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[2-[1-[2-[2-[7-[4-(aminomethyl)-3-fluorophenyl]-2-(1-cyclobutylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]morpholin-4-yl]ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 147046104
• Molecular Formula: C49H49F2N15O3
• Molecular Weight: 934.03 g/mol
• Exact Mass: 933.41
• IUPAC Name: N-[[4-[2-[1-[2-[2-[7-[4-(aminomethyl)-3-fluorophenyl]-2-(1-cyclobutylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]morpholin-4-yl]ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide
• SMILES: CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(CCN6CCOC(c7cc(-c8ccc(CN)c(F)c8)c8[nH]c(-c9cnn(C%10CCC%10)c9)nc8n7)C6)c5)[nH]c34)cc2F)n1
• InChI: InChI=1S/C49H49F2N15O3/c1-49(2,3)48-62-47(69-63-48)46(67)54-21-30-10-8-27(17-37(30)51)34-11-12-53-44-40(34)58-42(60-44)31-22-55-65(24-31)14-13-64-15-16-68-39(26-64)38-19-35(28-7-9-29(20-52)36(50)18-28)41-45(57-38)61-43(59-41)32-23-56-66(25-32)33-5-4-6-33/h7-12,17-19,22-25,33,39H,4-6,13-16,20-21,26,52H2,1-3H3,(H,54,67)(H,53,58,60)(H,57,59,61)
• InChIKey: BAKFEMKALXPCQY-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 225.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	934.03
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of N-[[4-[2-[1-[2-[2-[7-[4-(aminomethyl)-3-fluorophenyl]-2-(1-cyclobutylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]morpholin-4-yl]ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide (CID 147046104) is N-[[4-[2-[1-[2-[2-[7-[4-(aminomethyl)-3-fluorophenyl]-2-(1-cyclobutylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]morpholin-4-yl]ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide.

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

The canonical SMILES for N-[[4-[2-[1-[2-[2-[7-[4-(aminomethyl)-3-fluorophenyl]-2-(1-cyclobutylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]morpholin-4-yl]ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide is CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(-c5cnn(CCN6CCOC(c7cc(-c8ccc(CN)c(F)c8)c8[nH]c(-c9cnn(C%10CCC%10)c9)nc8n7)C6)c5)[nH]c34)cc2F)n1.

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

The InChIKey is BAKFEMKALXPCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H49F2N15O3/c1-49(2,3)48-62-47(69-63-48)46(67)54-21-30-10-8-27(17-37(30)51)34-11-12-53-44-40(34)58-42(60-44)31-22-55-65(24-31)14-13-64-15-16-68-39(26-64)38-19-35(28-7-9-29(20-52)36(50)18-28)41-45(57-38)61-43(59-41)32-23-56-66(25-32)33-5-4-6-33/h7-12,17-19,22-25,33,39H,4-6,13-16,20-21,26,52H2,1-3H3,(H,54,67)(H,53,58,60)(H,57,59,61).

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

N-[[4-[2-[1-[2-[2-[7-[4-(aminomethyl)-3-fluorophenyl]-2-(1-cyclobutylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]morpholin-4-yl]ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 934.03 g/mol, XLogP of 7.44, 13 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-[1-[2-[2-[7-[4-(aminomethyl)-3-fluorophenyl]-2-(1-cyclobutylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]morpholin-4-yl]ethyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 147046104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).