bis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide

C130H148F4N32O15 — CID 159311521

IUPACbis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide
SMILESCC(C)(C)c1nc(CNC(=O)c2ccc(-c3ccnc4[nH]nc(N[C@@H]5CCNC5)c34)cc2F)no1.COc1ccc(Cn2nc(N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c3c(-c4ccc(C(=O)NCc5noc(C(C)(C)C)n5)c(F)c4)ccnc32)cc1.COc1ccc(Cn2nc(N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c3c(-c4ccc(C(=O)NCc5noc(C(C)(C)C)n5)c(F)c4)ccnc32)cc1.COc1ccc(Cn2nc(N[C@@H]3CCNC3)c3c(-c4ccc(C(=O)NCc5noc(C(C)(C)C)n5)c(F)c4)ccnc32)cc1
InChIInChI=1S/2C37H43FN8O5.C32H35FN8O3.C24H27FN8O2/c2*1-36(2,3)34-42-29(44-51-34)19-40-33(47)27-13-10-23(18-28(27)38)26-14-16-39-32-30(26)31(43-46(32)20-22-8-11-25(49-7)12-9-22)41-24-15-17-45(21-24)35(48)50-37(4,5)6;1-32(2,3)31-38-26(40-44-31)17-36-30(42)24-10-7-20(15-25(24)33)23-12-14-35-29-27(23)28(37-21-11-13-34-16-21)39-41(29)18-19-5-8-22(43-4)9-6-19;1-24(2,3)23-30-18(33-35-23)12-28-22(34)16-5-4-13(10-17(16)25)15-7-9-27-20-19(15)21(32-31-20)29-14-6-8-26-11-14/h2*8-14,16,18,24H,15,17,19-21H2,1-7H3,(H,40,47)(H,41,43);5-10,12,14-15,21,34H,11,13,16-18H2,1-4H3,(H,36,42)(H,37,39);4-5,7,9-10,14,26H,6,8,11-12H2,1-3H3,(H,28,34)(H2,27,29,31,32)/t2*24-;21-;14-/m1111/s1
InChIKeyLCPMMYFDLJNLKA-UTCRQBIVSA-N
MW2474.81 g/mol
LogP20.48
Rot. Bonds33

About bis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide

bis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide (PubChem CID 159311521) has the molecular formula C130H148F4N32O15 and a molecular weight of 2474.81 g/mol. Its IUPAC name is bis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide.

Molecular Properties

Compound Namebis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide
PubChem CID159311521
Molecular FormulaC130H148F4N32O15
Molecular Weight2474.81 g/mol
Exact Mass2473.17
IUPAC Namebis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide
SMILESCC(C)(C)c1nc(CNC(=O)c2ccc(-c3ccnc4[nH]nc(N[C@@H]5CCNC5)c34)cc2F)no1.COc1ccc(Cn2nc(N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c3c(-c4ccc(C(=O)NCc5noc(C(C)(C)C)n5)c(F)c4)ccnc32)cc1.COc1ccc(Cn2nc(N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c3c(-c4ccc(C(=O)NCc5noc(C(C)(C)C)n5)c(F)c4)ccnc32)cc1.COc1ccc(Cn2nc(N[C@@H]3CCNC3)c3c(-c4ccc(C(=O)NCc5noc(C(C)(C)C)n5)c(F)c4)ccnc32)cc1
InChIInChI=1S/2C37H43FN8O5.C32H35FN8O3.C24H27FN8O2/c2*1-36(2,3)34-42-29(44-51-34)19-40-33(47)27-13-10-23(18-28(27)38)26-14-16-39-32-30(26)31(43-46(32)20-22-8-11-25(49-7)12-9-22)41-24-15-17-45(21-24)35(48)50-37(4,5)6;1-32(2,3)31-38-26(40-44-31)17-36-30(42)24-10-7-20(15-25(24)33)23-12-14-35-29-27(23)28(37-21-11-13-34-16-21)39-41(29)18-19-5-8-22(43-4)9-6-19;1-24(2,3)23-30-18(33-35-23)12-28-22(34)16-5-4-13(10-17(16)25)15-7-9-27-20-19(15)21(32-31-20)29-14-6-8-26-11-14/h2*8-14,16,18,24H,15,17,19-21H2,1-7H3,(H,40,47)(H,41,43);5-10,12,14-15,21,34H,11,13,16-18H2,1-4H3,(H,36,42)(H,37,39);4-5,7,9-10,14,26H,6,8,11-12H2,1-3H3,(H,28,34)(H2,27,29,31,32)/t2*24-;21-;14-/m1111/s1
InChIKeyLCPMMYFDLJNLKA-UTCRQBIVSA-N
XLogP20.48
TPSA564.73 Ų
H-Bond Donors11
H-Bond Acceptors40
Rotatable Bonds33
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002474.81
LogP ≤ 520.48
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1040

Analyze bis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide with MolForge

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Related Compounds

(3R)-3-[[4-[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylic acid
CID 135204709
3-[[4-[4-[[(4-Tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylic acid
CID 135204712
4-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]benzamide
CID 135205293
4-tert-butyl-N-[[2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[(1-prop-2-enoylpyrrolidin-3-yl)amino]pyrazolo[3,4-b]pyridin-4-yl]phenyl]methyl]benzamide
CID 135205295
tert-butyl (3R)-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]amino]pyrrolidine-1-carboxylate
CID 135210041
tert-butyl (3R)-3-[[4-[4-[[(4-tert-butylbenzoyl)amino]methyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate
CID 135210042
tert-butyl (3R)-3-[[4-[4-[(4-tert-butylbenzoyl)amino]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate
CID 135210051
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide
CID 135210090
tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate
CID 135210091
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide
CID 135210092
tert-butyl (3S)-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]amino]pyrrolidine-1-carboxylate
CID 140885844
4-[[3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;cyclopropanecarboxylic acid;4-[[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;hydrochloride
CID 157171079

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide?
The IUPAC name of bis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide (CID 159311521) is bis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide.
What is the SMILES notation for bis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide?
The canonical SMILES for bis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide is CC(C)(C)c1nc(CNC(=O)c2ccc(-c3ccnc4[nH]nc(N[C@@H]5CCNC5)c34)cc2F)no1.COc1ccc(Cn2nc(N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c3c(-c4ccc(C(=O)NCc5noc(C(C)(C)C)n5)c(F)c4)ccnc32)cc1.COc1ccc(Cn2nc(N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c3c(-c4ccc(C(=O)NCc5noc(C(C)(C)C)n5)c(F)c4)ccnc32)cc1.COc1ccc(Cn2nc(N[C@@H]3CCNC3)c3c(-c4ccc(C(=O)NCc5noc(C(C)(C)C)n5)c(F)c4)ccnc32)cc1.
What is the InChIKey of bis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide?
The InChIKey is LCPMMYFDLJNLKA-UTCRQBIVSA-N. The full InChI is InChI=1S/2C37H43FN8O5.C32H35FN8O3.C24H27FN8O2/c2*1-36(2,3)34-42-29(44-51-34)19-40-33(47)27-13-10-23(18-28(27)38)26-14-16-39-32-30(26)31(43-46(32)20-22-8-11-25(49-7)12-9-22)41-24-15-17-45(21-24)35(48)50-37(4,5)6;1-32(2,3)31-38-26(40-44-31)17-36-30(42)24-10-7-20(15-25(24)33)23-12-14-35-29-27(23)28(37-21-11-13-34-16-21)39-41(29)18-19-5-8-22(43-4)9-6-19;1-24(2,3)23-30-18(33-35-23)12-28-22(34)16-5-4-13(10-17(16)25)15-7-9-27-20-19(15)21(32-31-20)29-14-6-8-26-11-14/h2*8-14,16,18,24H,15,17,19-21H2,1-7H3,(H,40,47)(H,41,43);5-10,12,14-15,21,34H,11,13,16-18H2,1-4H3,(H,36,42)(H,37,39);4-5,7,9-10,14,26H,6,8,11-12H2,1-3H3,(H,28,34)(H2,27,29,31,32)/t2*24-;21-;14-/m1111/s1.
What are the key properties of bis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide?
bis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide has a molecular weight of 2474.81 g/mol, XLogP of 20.48, 33 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl (3R)-3-[[4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3-fluorophenyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]pyrrolidine-1-carboxylate);N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[3,4-b]pyridin-4-yl]benzamide;N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-fluoro-4-[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 159311521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).