5-(2-aminopropan-2-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate

C₅₁H₅₂F₂N₁₈O₆ — CID 157213156

About 5-(2-aminopropan-2-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate

5-(2-aminopropan-2-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate (PubChem CID 157213156) has the molecular formula C₅₁H₅₂F₂N₁₈O₆ and a molecular weight of 1051.09 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate.

Molecular Properties

• Compound Name: 5-(2-aminopropan-2-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate
• PubChem CID: 157213156
• Molecular Formula: C₅₁H₅₂F₂N₁₈O₆
• Molecular Weight: 1051.09 g/mol
• Exact Mass: 1050.43
• IUPAC Name: 5-(2-aminopropan-2-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate
• SMILES: Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)N)n5)c(F)c4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)NC(=O)OC(C)(C)C)n5)c(F)c4)c3[nH]2)cn1
• InChI: InChI=1S/C28H30FN9O4.C23H22FN9O2/c1-27(2,3)41-26(40)36-28(4,5)25-35-23(37-42-25)24(39)31-12-16-8-7-15(11-19(16)29)18-9-10-30-22-20(18)33-21(34-22)17-13-32-38(6)14-17;1-23(2,25)22-31-20(32-35-22)21(34)27-9-13-5-4-12(8-16(13)24)15-6-7-26-19-17(15)29-18(30-19)14-10-28-33(3)11-14/h7-11,13-14H,12H2,1-6H3,(H,31,39)(H,36,40)(H,30,33,34);4-8,10-11H,9,25H2,1-3H3,(H,27,34)(H,26,29,30)
• InChIKey: ASCRMAWRVAJKES-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 319.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1051.09
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate?

The IUPAC name of 5-(2-aminopropan-2-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate (CID 157213156) is 5-(2-aminopropan-2-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate.

What is the SMILES notation for 5-(2-aminopropan-2-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate?

The canonical SMILES for 5-(2-aminopropan-2-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate is Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)N)n5)c(F)c4)c3[nH]2)cn1.Cn1cc(-c2nc3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)NC(=O)OC(C)(C)C)n5)c(F)c4)c3[nH]2)cn1.

What is the InChIKey of 5-(2-aminopropan-2-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate?

The InChIKey is ASCRMAWRVAJKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN9O4.C23H22FN9O2/c1-27(2,3)41-26(40)36-28(4,5)25-35-23(37-42-25)24(39)31-12-16-8-7-15(11-19(16)29)18-9-10-30-22-20(18)33-21(34-22)17-13-32-38(6)14-17;1-23(2,25)22-31-20(32-35-22)21(34)27-9-13-5-4-12(8-16(13)24)15-6-7-26-19-17(15)29-18(30-19)14-10-28-33(3)11-14/h7-11,13-14H,12H2,1-6H3,(H,31,39)(H,36,40)(H,30,33,34);4-8,10-11H,9,25H2,1-3H3,(H,27,34)(H,26,29,30).

What are the key properties of 5-(2-aminopropan-2-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate?

5-(2-aminopropan-2-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate has a molecular weight of 1051.09 g/mol, XLogP of 6.91, 13 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-aminopropan-2-yl)-N-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;tert-butyl N-[2-[3-[[2-fluoro-4-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methylcarbamoyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate is sourced from PubChem (CID 157213156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157213156 — identifiers, structure, computed properties (public domain)

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