N-[[4-[3-amino-2-[2-[5-[[4-[2-(4-amino-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methylcarbamoyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-4-pyridinyl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide

C42H41F2N15O4 — CID 174366728

About N-[[4-[3-amino-2-[2-[5-[[4-[2-(4-amino-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methylcarbamoyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-4-pyridinyl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide

N-[[4-[3-amino-2-[2-[5-[[4-[2-(4-amino-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methylcarbamoyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-4-pyridinyl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 174366728) has the molecular formula C42H41F2N15O4 and a molecular weight of 857.89 g/mol. Its IUPAC name is N-[[4-[3-amino-2-[2-[5-[[4-[2-(4-amino-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methylcarbamoyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-4-pyridinyl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[3-amino-2-[2-[5-[[4-[2-(4-amino-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methylcarbamoyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-4-pyridinyl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 174366728
• Molecular Formula: C42H41F2N15O4
• Molecular Weight: 857.89 g/mol
• Exact Mass: 857.34
• IUPAC Name: N-[[4-[3-amino-2-[2-[5-[[4-[2-(4-amino-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methylcarbamoyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-4-pyridinyl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide
• SMILES: Cn1cc(N)c(-c2nc3nccc(-c4ccc(CNC(=O)c5nc(C(C)(C)Nc6nccc(-c7ccc(CNC(=O)c8nc(C(C)(C)C)no8)c(F)c7)c6N)no5)c(F)c4)c3[nH]2)n1
• InChI: InChI=1S/C42H41F2N15O4/c1-41(2,3)39-53-37(62-57-39)35(60)49-17-22-9-7-20(15-26(22)43)24-11-13-47-32(29(24)46)55-42(4,5)40-54-38(63-58-40)36(61)50-18-23-10-8-21(16-27(23)44)25-12-14-48-33-30(25)51-34(52-33)31-28(45)19-59(6)56-31/h7-16,19H,17-18,45-46H2,1-6H3,(H,47,55)(H,49,60)(H,50,61)(H,48,51,52)
• InChIKey: JUEFUXCKYBSSPL-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 272.39 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	857.89
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-amino-2-[2-[5-[[4-[2-(4-amino-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methylcarbamoyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-4-pyridinyl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of N-[[4-[3-amino-2-[2-[5-[[4-[2-(4-amino-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methylcarbamoyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-4-pyridinyl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide (CID 174366728) is N-[[4-[3-amino-2-[2-[5-[[4-[2-(4-amino-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methylcarbamoyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-4-pyridinyl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for N-[[4-[3-amino-2-[2-[5-[[4-[2-(4-amino-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methylcarbamoyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-4-pyridinyl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for N-[[4-[3-amino-2-[2-[5-[[4-[2-(4-amino-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methylcarbamoyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-4-pyridinyl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide is Cn1cc(N)c(-c2nc3nccc(-c4ccc(CNC(=O)c5nc(C(C)(C)Nc6nccc(-c7ccc(CNC(=O)c8nc(C(C)(C)C)no8)c(F)c7)c6N)no5)c(F)c4)c3[nH]2)n1.

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

The InChIKey is JUEFUXCKYBSSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H41F2N15O4/c1-41(2,3)39-53-37(62-57-39)35(60)49-17-22-9-7-20(15-26(22)43)24-11-13-47-32(29(24)46)55-42(4,5)40-54-38(63-58-40)36(61)50-18-23-10-8-21(16-27(23)44)25-12-14-48-33-30(25)51-34(52-33)31-28(45)19-59(6)56-31/h7-16,19H,17-18,45-46H2,1-6H3,(H,47,55)(H,49,60)(H,50,61)(H,48,51,52).

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

N-[[4-[3-amino-2-[2-[5-[[4-[2-(4-amino-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methylcarbamoyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-4-pyridinyl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 857.89 g/mol, XLogP of 5.80, 12 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[3-amino-2-[2-[5-[[4-[2-(4-amino-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-fluorophenyl]methylcarbamoyl]-1,2,4-oxadiazol-3-yl]propan-2-ylamino]-4-pyridinyl]-2-fluorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 174366728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).