tert-butyl 3-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2,5-dihydropyrrole-1-carboxylate;5-tert-butyl-N-[[4-[3-(2,5-dihydro-1H-pyrrol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

C131H132F4N28O15 — CID 159583753

About tert-butyl 3-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2,5-dihydropyrrole-1-carboxylate;5-tert-butyl-N-[[4-[3-(2,5-dihydro-1H-pyrrol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

tert-butyl 3-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2,5-dihydropyrrole-1-carboxylate;5-tert-butyl-N-[[4-[3-(2,5-dihydro-1H-pyrrol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 159583753) has the molecular formula C131H132F4N28O15 and a molecular weight of 2414.67 g/mol. Its IUPAC name is tert-butyl 3-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2,5-dihydropyrrole-1-carboxylate;5-tert-butyl-N-[[4-[3-(2,5-dihydro-1H-pyrrol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: tert-butyl 3-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2,5-dihydropyrrole-1-carboxylate;5-tert-butyl-N-[[4-[3-(2,5-dihydro-1H-pyrrol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 159583753
• Molecular Formula: C131H132F4N28O15
• Molecular Weight: 2414.67 g/mol
• Exact Mass: 2413.04
• IUPAC Name: tert-butyl 3-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2,5-dihydropyrrole-1-carboxylate;5-tert-butyl-N-[[4-[3-(2,5-dihydro-1H-pyrrol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: C=CC(=O)N1CC=C(c2[nH]nc3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c23)C1.C=CC(=O)N1CC=C(c2nn(Cc3ccc(OC)cc3)c3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c23)C1.COc1ccc(Cn2nc(C3=CCN(C(=O)OC(C)(C)C)C3)c3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)ccnc32)cc1.COc1ccc(Cn2nc(C3=CCNC3)c3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)ccnc32)cc1
• InChI: InChI=1S/C37H40FN7O5.C35H34FN7O4.C32H32FN7O3.C27H26FN7O3/c1-36(2,3)34-41-31(43-50-34)33(46)40-19-24-11-10-23(18-28(24)38)27-14-16-39-32-29(27)30(25-15-17-44(21-25)35(47)49-37(4,5)6)42-45(32)20-22-8-12-26(48-7)13-9-22;1-6-28(44)42-16-14-24(20-42)30-29-26(13-15-37-32(29)43(40-30)19-21-7-11-25(46-5)12-8-21)22-9-10-23(27(36)17-22)18-38-33(45)31-39-34(47-41-31)35(2,3)4;1-32(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;1-5-20(36)35-11-9-17(14-35)22-21-18(8-10-29-23(21)33-32-22)15-6-7-16(19(28)12-15)13-30-25(37)24-31-26(38-34-24)27(2,3)4/h8-16,18H,17,19-21H2,1-7H3,(H,40,46);6-15,17H,1,16,18-20H2,2-5H3,(H,38,45);5-12,14-15,34H,13,16-18H2,1-4H3,(H,36,41);5-10,12H,1,11,13-14H2,2-4H3,(H,30,37)(H,29,32,33)
• InChIKey: MJIRXDKBKFVREZ-UHFFFAOYSA-N
• XLogP: 20.53
• TPSA: 515.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 31
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2414.67
LogP ≤ 5	20.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2,5-dihydropyrrole-1-carboxylate;5-tert-butyl-N-[[4-[3-(2,5-dihydro-1H-pyrrol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of tert-butyl 3-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2,5-dihydropyrrole-1-carboxylate;5-tert-butyl-N-[[4-[3-(2,5-dihydro-1H-pyrrol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 159583753) is tert-butyl 3-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2,5-dihydropyrrole-1-carboxylate;5-tert-butyl-N-[[4-[3-(2,5-dihydro-1H-pyrrol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for tert-butyl 3-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2,5-dihydropyrrole-1-carboxylate;5-tert-butyl-N-[[4-[3-(2,5-dihydro-1H-pyrrol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for tert-butyl 3-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2,5-dihydropyrrole-1-carboxylate;5-tert-butyl-N-[[4-[3-(2,5-dihydro-1H-pyrrol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is C=CC(=O)N1CC=C(c2[nH]nc3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c23)C1.C=CC(=O)N1CC=C(c2nn(Cc3ccc(OC)cc3)c3nccc(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)c23)C1.COc1ccc(Cn2nc(C3=CCN(C(=O)OC(C)(C)C)C3)c3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)ccnc32)cc1.COc1ccc(Cn2nc(C3=CCNC3)c3c(-c4ccc(CNC(=O)c5noc(C(C)(C)C)n5)c(F)c4)ccnc32)cc1.

What is the InChIKey of tert-butyl 3-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2,5-dihydropyrrole-1-carboxylate;5-tert-butyl-N-[[4-[3-(2,5-dihydro-1H-pyrrol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is MJIRXDKBKFVREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40FN7O5.C35H34FN7O4.C32H32FN7O3.C27H26FN7O3/c1-36(2,3)34-41-31(43-50-34)33(46)40-19-24-11-10-23(18-28(24)38)27-14-16-39-32-29(27)30(25-15-17-44(21-25)35(47)49-37(4,5)6)42-45(32)20-22-8-12-26(48-7)13-9-22;1-6-28(44)42-16-14-24(20-42)30-29-26(13-15-37-32(29)43(40-30)19-21-7-11-25(46-5)12-8-21)22-9-10-23(27(36)17-22)18-38-33(45)31-39-34(47-41-31)35(2,3)4;1-32(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;1-5-20(36)35-11-9-17(14-35)22-21-18(8-10-29-23(21)33-32-22)15-6-7-16(19(28)12-15)13-30-25(37)24-31-26(38-34-24)27(2,3)4/h8-16,18H,17,19-21H2,1-7H3,(H,40,46);6-15,17H,1,16,18-20H2,2-5H3,(H,38,45);5-12,14-15,34H,13,16-18H2,1-4H3,(H,36,41);5-10,12H,1,11,13-14H2,2-4H3,(H,30,37)(H,29,32,33).

What are the key properties of tert-butyl 3-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2,5-dihydropyrrole-1-carboxylate;5-tert-butyl-N-[[4-[3-(2,5-dihydro-1H-pyrrol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide?

tert-butyl 3-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2,5-dihydropyrrole-1-carboxylate;5-tert-butyl-N-[[4-[3-(2,5-dihydro-1H-pyrrol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 2414.67 g/mol, XLogP of 20.53, 31 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-2,5-dihydropyrrole-1-carboxylate;5-tert-butyl-N-[[4-[3-(2,5-dihydro-1H-pyrrol-3-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-2-fluorophenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;5-tert-butyl-N-[[2-fluoro-4-[3-(1-prop-2-enoyl-2,5-dihydropyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 159583753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).