5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid

C112H140F2N24O14 — CID 157123311

IUPAC5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid
SMILESCCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CN.CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cncc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN[C@@H](C)C4)c3)c2)c1.CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cncc(C(=O)O)c1.C[C@H]1CN(Cc2cccc(-c3cc(CN)ccc3F)c2)CCN1C(=O)OC(C)(C)C.O=C(O)c1cncc(C(=O)O)c1
InChIInChI=1S/C42H50FN9O3.C24H32FN3O2.C23H28N6O4.C16H25N5O.C7H5NO4/c1-4-38-35(39(49-33-11-15-55-16-12-33)36-24-48-52(5-2)40(36)50-38)23-47-42(54)32-19-31(21-44-22-32)41(53)46-20-28-9-10-37(43)34(18-28)30-8-6-7-29(17-30)26-51-14-13-45-27(3)25-51;1-17-15-27(10-11-28(17)23(29)30-24(2,3)4)16-19-6-5-7-20(12-19)21-13-18(14-26)8-9-22(21)25;1-3-19-17(12-25-22(30)14-9-15(23(31)32)11-24-10-14)20(27-16-5-7-33-8-6-16)18-13-26-29(4-2)21(18)28-19;1-3-14-12(9-17)15(19-11-5-7-22-8-6-11)13-10-18-21(4-2)16(13)20-14;9-6(10)4-1-5(7(11)12)3-8-2-4/h6-10,17-19,21-22,24,27,33,45H,4-5,11-16,20,23,25-26H2,1-3H3,(H,46,53)(H,47,54)(H,49,50);5-9,12-13,17H,10-11,14-16,26H2,1-4H3;9-11,13,16H,3-8,12H2,1-2H3,(H,25,30)(H,27,28)(H,31,32);10-11H,3-9,17H2,1-2H3,(H,19,20);1-3H,(H,9,10)(H,11,12)/t27-;17-;;;/m00.../s1
InChIKeyAIFOKJBBXYDPJT-JJBZMFADSA-N
MW2084.50 g/mol
LogP15.02
Rot. Bonds32

About 5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid

5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid (PubChem CID 157123311) has the molecular formula C112H140F2N24O14 and a molecular weight of 2084.50 g/mol. Its IUPAC name is 5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid
PubChem CID157123311
Molecular FormulaC112H140F2N24O14
Molecular Weight2084.50 g/mol
Exact Mass2083.09
IUPAC Name5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid
SMILESCCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CN.CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cncc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN[C@@H](C)C4)c3)c2)c1.CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cncc(C(=O)O)c1.C[C@H]1CN(Cc2cccc(-c3cc(CN)ccc3F)c2)CCN1C(=O)OC(C)(C)C.O=C(O)c1cncc(C(=O)O)c1
InChIInChI=1S/C42H50FN9O3.C24H32FN3O2.C23H28N6O4.C16H25N5O.C7H5NO4/c1-4-38-35(39(49-33-11-15-55-16-12-33)36-24-48-52(5-2)40(36)50-38)23-47-42(54)32-19-31(21-44-22-32)41(53)46-20-28-9-10-37(43)34(18-28)30-8-6-7-29(17-30)26-51-14-13-45-27(3)25-51;1-17-15-27(10-11-28(17)23(29)30-24(2,3)4)16-19-6-5-7-20(12-19)21-13-18(14-26)8-9-22(21)25;1-3-19-17(12-25-22(30)14-9-15(23(31)32)11-24-10-14)20(27-16-5-7-33-8-6-16)18-13-26-29(4-2)21(18)28-19;1-3-14-12(9-17)15(19-11-5-7-22-8-6-11)13-10-18-21(4-2)16(13)20-14;9-6(10)4-1-5(7(11)12)3-8-2-4/h6-10,17-19,21-22,24,27,33,45H,4-5,11-16,20,23,25-26H2,1-3H3,(H,46,53)(H,47,54)(H,49,50);5-9,12-13,17H,10-11,14-16,26H2,1-4H3;9-11,13,16H,3-8,12H2,1-2H3,(H,25,30)(H,27,28)(H,31,32);10-11H,3-9,17H2,1-2H3,(H,19,20);1-3H,(H,9,10)(H,11,12)/t27-;17-;;;/m00.../s1
InChIKeyAIFOKJBBXYDPJT-JJBZMFADSA-N
XLogP15.02
TPSA493.87 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds32
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002084.50
LogP ≤ 515.02
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze 5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid with MolForge

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Related Compounds

6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylamino]-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3-carboxamide
CID 44184513
3-[4-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methoxy]piperidine-1-carbonyl]-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide
CID 44184514
3-[4-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methoxy]piperidine-1-carbonyl]-N-[[4-fluoro-3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
CID 44184515
n-{[1,6-Diethyl-4-(tetrahydro-2h-pyran-4-ylamino)-1h-pyrazolo[3,4-b]pyridin-5-yl]methyl}-n'-[(6-fluoro-3'-{[(3s)-3-methyl-1-piperazinyl]methyl}-3-biphenylyl)methyl]-3,5-pyridinedicarboxamide
CID 44192863
1,1-Dimethylethyl (1S,4S)-5-[(5'-{[({3-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]phenyl}-carbonyl)amino]methyl}-2'-fluoro-3-biphenylyl)methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 57813322
1-N-[[3-[3-[[(1S,4S)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]-4-fluorophenyl]methyl]-3-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzene-1,3-dicarboxamide
CID 57813369
Tert-butyl 4-[[3-[5-[[[3-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]benzoyl]-methylamino]methyl]-2-fluorophenyl]phenyl]methyl]piperazine-1-carboxylate
CID 57813422
1,1-Dimethylethyl 4-[(5'-{[({3-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino) carbonyl]phenyl}methyl)(methyl)amino]methyl}-2'-fluoro-3-biphenylyl)methyl]-1-piperazinecarboxylate
CID 57813427
1,1-Dimethylethyl 4-{[5'-({[(3-{[{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}(methyl)amino]methyl}phenyl)carbonyl]amino}methyl)-2'-fluoro-3-biphenylyl]methyl}-1-piperazinecarboxylate
CID 57813435
1,1-dimethylethyl 4-{[5'-({[(3-{[{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}(methyl)amino]carbonyl}phenyl) carbonyl]amino}methyl)-2'-fluoro-3-biphenylyl]methyl}-1-piperazinecarboxylate
CID 57813475
N-({3'-[(1S,4S)-2,5-Diazabicyclo [2.2.1]hept-2-ylmethyl]-6-fluoro-3-biphenylyl}methyl)-N'-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-1,3-benzenedicarboxamide
CID 57813497
1-N-[[3-[3-[[(1S,4S)-5-acetyl-2,5-diazabicyclo[2.2.2]octan-2-yl]methyl]phenyl]-4-fluorophenyl]methyl]-3-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzene-1,3-dicarboxamide
CID 57813522

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid?
The IUPAC name of 5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid (CID 157123311) is 5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid is CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CN.CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cncc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN[C@@H](C)C4)c3)c2)c1.CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cncc(C(=O)O)c1.C[C@H]1CN(Cc2cccc(-c3cc(CN)ccc3F)c2)CCN1C(=O)OC(C)(C)C.O=C(O)c1cncc(C(=O)O)c1.
What is the InChIKey of 5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid?
The InChIKey is AIFOKJBBXYDPJT-JJBZMFADSA-N. The full InChI is InChI=1S/C42H50FN9O3.C24H32FN3O2.C23H28N6O4.C16H25N5O.C7H5NO4/c1-4-38-35(39(49-33-11-15-55-16-12-33)36-24-48-52(5-2)40(36)50-38)23-47-42(54)32-19-31(21-44-22-32)41(53)46-20-28-9-10-37(43)34(18-28)30-8-6-7-29(17-30)26-51-14-13-45-27(3)25-51;1-17-15-27(10-11-28(17)23(29)30-24(2,3)4)16-19-6-5-7-20(12-19)21-13-18(14-26)8-9-22(21)25;1-3-19-17(12-25-22(30)14-9-15(23(31)32)11-24-10-14)20(27-16-5-7-33-8-6-16)18-13-26-29(4-2)21(18)28-19;1-3-14-12(9-17)15(19-11-5-7-22-8-6-11)13-10-18-21(4-2)16(13)20-14;9-6(10)4-1-5(7(11)12)3-8-2-4/h6-10,17-19,21-22,24,27,33,45H,4-5,11-16,20,23,25-26H2,1-3H3,(H,46,53)(H,47,54)(H,49,50);5-9,12-13,17H,10-11,14-16,26H2,1-4H3;9-11,13,16H,3-8,12H2,1-2H3,(H,25,30)(H,27,28)(H,31,32);10-11H,3-9,17H2,1-2H3,(H,19,20);1-3H,(H,9,10)(H,11,12)/t27-;17-;;;/m00.../s1.
What are the key properties of 5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid?
5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid has a molecular weight of 2084.50 g/mol, XLogP of 15.02, 32 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;5-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-3-carboxylic acid;5-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]pyridine-3,5-dicarboxamide;pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 157123311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).