5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

C32H34FN7O3 — CID 135204913

About 5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 135204913) has the molecular formula C32H34FN7O3 and a molecular weight of 583.67 g/mol. Its IUPAC name is 5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 135204913
• Molecular Formula: C32H34FN7O3
• Molecular Weight: 583.67 g/mol
• Exact Mass: 583.27
• IUPAC Name: 5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: COc1ccc(Cn2nc(C3CCNC3)c3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)ccnc32)cc1
• InChI: InChI=1S/C32H34FN7O3/c1-32(2,3)31-37-28(39-43-31)30(41)36-17-21-8-7-20(15-25(21)33)24-12-14-35-29-26(24)27(22-11-13-34-16-22)38-40(29)18-19-5-9-23(42-4)10-6-19/h5-10,12,14-15,22,34H,11,13,16-18H2,1-4H3,(H,36,41)
• InChIKey: SJZQEJYOMXORGG-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 119.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.67
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of 5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 135204913) is 5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for 5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for 5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is COc1ccc(Cn2nc(C3CCNC3)c3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)ccnc32)cc1.

What is the InChIKey of 5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is SJZQEJYOMXORGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN7O3/c1-32(2,3)31-37-28(39-43-31)30(41)36-17-21-8-7-20(15-25(21)33)24-12-14-35-29-26(24)27(22-11-13-34-16-22)38-40(29)18-19-5-9-23(42-4)10-6-19/h5-10,12,14-15,22,34H,11,13,16-18H2,1-4H3,(H,36,41).

What are the key properties of 5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 583.67 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-pyrrolidin-3-ylpyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 135204913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).