lithium;(2S)-2-aminobutanenitrile;benzyl carbonochloridate;benzyl 4-[4-[[5-chloro-4-[4-[[(1S)-1-cyanopropyl]carbamoyl]phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;4-[5-chloro-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide;N,N-diethylethanamine;methanol;methyl 4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide

C173H193Cl7LiN43O22 — CID 167532870

About lithium;(2S)-2-aminobutanenitrile;benzyl carbonochloridate;benzyl 4-[4-[[5-chloro-4-[4-[[(1S)-1-cyanopropyl]carbamoyl]phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;4-[5-chloro-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide;N,N-diethylethanamine;methanol;methyl 4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide

lithium;(2S)-2-aminobutanenitrile;benzyl carbonochloridate;benzyl 4-[4-[[5-chloro-4-[4-[[(1S)-1-cyanopropyl]carbamoyl]phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;4-[5-chloro-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide;N,N-diethylethanamine;methanol;methyl 4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide (PubChem CID 167532870) has the molecular formula C173H193Cl7LiN43O22 and a molecular weight of 3481.84 g/mol. Its IUPAC name is lithium;(2S)-2-aminobutanenitrile;benzyl carbonochloridate;benzyl 4-[4-[[5-chloro-4-[4-[[(1S)-1-cyanopropyl]carbamoyl]phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;4-[5-chloro-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide;N,N-diethylethanamine;methanol;methyl 4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide.

Molecular Properties

• Compound Name: lithium;(2S)-2-aminobutanenitrile;benzyl carbonochloridate;benzyl 4-[4-[[5-chloro-4-[4-[[(1S)-1-cyanopropyl]carbamoyl]phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;4-[5-chloro-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide;N,N-diethylethanamine;methanol;methyl 4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide
• PubChem CID: 167532870
• Molecular Formula: C173H193Cl7LiN43O22
• Molecular Weight: 3481.84 g/mol
• Exact Mass: 3476.33
• IUPAC Name: lithium;(2S)-2-aminobutanenitrile;benzyl carbonochloridate;benzyl 4-[4-[[5-chloro-4-[4-[[(1S)-1-cyanopropyl]carbamoyl]phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;4-[5-chloro-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide;N,N-diethylethanamine;methanol;methyl 4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide
• SMILES: CCN(CC)CC.CC[C@@H](C#N)NC(=O)c1ccc(-c2nc(Nc3cnn(C4CCN(C(=O)OCc5ccccc5)CC4)c3)ncc2Cl)cc1.CC[C@@H](C#N)NC(=O)c1ccc(-c2nc(Nc3cnn(C4CCNCC4)c3)ncc2Cl)cc1.CC[C@H](N)C#N.CO.COC(=O)c1ccc(-c2nc(Nc3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)ncc2Cl)cc1.COC(=O)c1ccc(-c2nc(Nc3cnn(C4CCN(C(=O)OCc5ccccc5)CC4)c3)ncc2Cl)cc1.COC(=O)c1ccc(-c2nc(Nc3cnn(C4CCNCC4)c3)ncc2Cl)cc1.O=C(Cl)OCc1ccccc1.O=C(O)c1ccc(-c2nc(Nc3cnn(C4CCN(C(=O)OCc5ccccc5)CC4)c3)ncc2Cl)cc1.[Li+].[OH-]
• InChI: InChI=1S/C31H31ClN8O3.C28H27ClN6O4.C27H25ClN6O4.C25H29ClN6O4.C23H25ClN8O.C20H21ClN6O2.C8H7ClO2.C6H15N.C4H8N2.CH4O.Li.H2O/c1-2-24(16-33)36-29(41)23-10-8-22(9-11-23)28-27(32)18-34-30(38-28)37-25-17-35-40(19-25)26-12-14-39(15-13-26)31(42)43-20-21-6-4-3-5-7-21;1-38-26(36)21-9-7-20(8-10-21)25-24(29)16-30-27(33-25)32-22-15-31-35(17-22)23-11-13-34(14-12-23)28(37)39-18-19-5-3-2-4-6-19;28-23-15-29-26(32-24(23)19-6-8-20(9-7-19)25(35)36)31-21-14-30-34(16-21)22-10-12-33(13-11-22)27(37)38-17-18-4-2-1-3-5-18;1-25(2,3)36-24(34)31-11-9-19(10-12-31)32-15-18(13-28-32)29-23-27-14-20(26)21(30-23)16-5-7-17(8-6-16)22(33)35-4;1-2-17(11-25)29-22(33)16-5-3-15(4-6-16)21-20(24)13-27-23(31-21)30-18-12-28-32(14-18)19-7-9-26-10-8-19;1-29-19(28)14-4-2-13(3-5-14)18-17(21)11-23-20(26-18)25-15-10-24-27(12-15)16-6-8-22-9-7-16;9-8(10)11-6-7-4-2-1-3-5-7;1-4-7(5-2)6-3;1-2-4(6)3-5;1-2;;/h3-11,17-19,24,26H,2,12-15,20H2,1H3,(H,36,41)(H,34,37,38);2-10,15-17,23H,11-14,18H2,1H3,(H,30,32,33);1-9,14-16,22H,10-13,17H2,(H,35,36)(H,29,31,32);5-8,13-15,19H,9-12H2,1-4H3,(H,27,29,30);3-6,12-14,17,19,26H,2,7-10H2,1H3,(H,29,33)(H,27,30,31);2-5,10-12,16,22H,6-9H2,1H3,(H,23,25,26);1-5H,6H2;4-6H2,1-3H3;4H,2,6H2,1H3;2H,1H3;;1H2/q;;;;;;;;;;+1;/p-1/t24-;;;;17-;;;;4-;;;/m0...0...0.../s1
• InChIKey: AFARQBQRLRAPKR-SPEVEQATSA-M
• XLogP: 29.48
• TPSA: 827.56 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 58
• Rotatable Bonds: 46
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3481.84
LogP ≤ 5	29.48
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;(2S)-2-aminobutanenitrile;benzyl carbonochloridate;benzyl 4-[4-[[5-chloro-4-[4-[[(1S)-1-cyanopropyl]carbamoyl]phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;4-[5-chloro-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide;N,N-diethylethanamine;methanol;methyl 4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide?

The IUPAC name of lithium;(2S)-2-aminobutanenitrile;benzyl carbonochloridate;benzyl 4-[4-[[5-chloro-4-[4-[[(1S)-1-cyanopropyl]carbamoyl]phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;4-[5-chloro-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide;N,N-diethylethanamine;methanol;methyl 4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide (CID 167532870) is lithium;(2S)-2-aminobutanenitrile;benzyl carbonochloridate;benzyl 4-[4-[[5-chloro-4-[4-[[(1S)-1-cyanopropyl]carbamoyl]phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;4-[5-chloro-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide;N,N-diethylethanamine;methanol;methyl 4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide.

What is the SMILES notation for lithium;(2S)-2-aminobutanenitrile;benzyl carbonochloridate;benzyl 4-[4-[[5-chloro-4-[4-[[(1S)-1-cyanopropyl]carbamoyl]phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;4-[5-chloro-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide;N,N-diethylethanamine;methanol;methyl 4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide?

The canonical SMILES for lithium;(2S)-2-aminobutanenitrile;benzyl carbonochloridate;benzyl 4-[4-[[5-chloro-4-[4-[[(1S)-1-cyanopropyl]carbamoyl]phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;4-[5-chloro-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide;N,N-diethylethanamine;methanol;methyl 4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide is CCN(CC)CC.CC[C@@H](C#N)NC(=O)c1ccc(-c2nc(Nc3cnn(C4CCN(C(=O)OCc5ccccc5)CC4)c3)ncc2Cl)cc1.CC[C@@H](C#N)NC(=O)c1ccc(-c2nc(Nc3cnn(C4CCNCC4)c3)ncc2Cl)cc1.CC[C@H](N)C#N.CO.COC(=O)c1ccc(-c2nc(Nc3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)ncc2Cl)cc1.COC(=O)c1ccc(-c2nc(Nc3cnn(C4CCN(C(=O)OCc5ccccc5)CC4)c3)ncc2Cl)cc1.COC(=O)c1ccc(-c2nc(Nc3cnn(C4CCNCC4)c3)ncc2Cl)cc1.O=C(Cl)OCc1ccccc1.O=C(O)c1ccc(-c2nc(Nc3cnn(C4CCN(C(=O)OCc5ccccc5)CC4)c3)ncc2Cl)cc1.[Li+].[OH-].

What is the InChIKey of lithium;(2S)-2-aminobutanenitrile;benzyl carbonochloridate;benzyl 4-[4-[[5-chloro-4-[4-[[(1S)-1-cyanopropyl]carbamoyl]phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;4-[5-chloro-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide;N,N-diethylethanamine;methanol;methyl 4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide?

The InChIKey is AFARQBQRLRAPKR-SPEVEQATSA-M. The full InChI is InChI=1S/C31H31ClN8O3.C28H27ClN6O4.C27H25ClN6O4.C25H29ClN6O4.C23H25ClN8O.C20H21ClN6O2.C8H7ClO2.C6H15N.C4H8N2.CH4O.Li.H2O/c1-2-24(16-33)36-29(41)23-10-8-22(9-11-23)28-27(32)18-34-30(38-28)37-25-17-35-40(19-25)26-12-14-39(15-13-26)31(42)43-20-21-6-4-3-5-7-21;1-38-26(36)21-9-7-20(8-10-21)25-24(29)16-30-27(33-25)32-22-15-31-35(17-22)23-11-13-34(14-12-23)28(37)39-18-19-5-3-2-4-6-19;28-23-15-29-26(32-24(23)19-6-8-20(9-7-19)25(35)36)31-21-14-30-34(16-21)22-10-12-33(13-11-22)27(37)38-17-18-4-2-1-3-5-18;1-25(2,3)36-24(34)31-11-9-19(10-12-31)32-15-18(13-28-32)29-23-27-14-20(26)21(30-23)16-5-7-17(8-6-16)22(33)35-4;1-2-17(11-25)29-22(33)16-5-3-15(4-6-16)21-20(24)13-27-23(31-21)30-18-12-28-32(14-18)19-7-9-26-10-8-19;1-29-19(28)14-4-2-13(3-5-14)18-17(21)11-23-20(26-18)25-15-10-24-27(12-15)16-6-8-22-9-7-16;9-8(10)11-6-7-4-2-1-3-5-7;1-4-7(5-2)6-3;1-2-4(6)3-5;1-2;;/h3-11,17-19,24,26H,2,12-15,20H2,1H3,(H,36,41)(H,34,37,38);2-10,15-17,23H,11-14,18H2,1H3,(H,30,32,33);1-9,14-16,22H,10-13,17H2,(H,35,36)(H,29,31,32);5-8,13-15,19H,9-12H2,1-4H3,(H,27,29,30);3-6,12-14,17,19,26H,2,7-10H2,1H3,(H,29,33)(H,27,30,31);2-5,10-12,16,22H,6-9H2,1H3,(H,23,25,26);1-5H,6H2;4-6H2,1-3H3;4H,2,6H2,1H3;2H,1H3;;1H2/q;;;;;;;;;;+1;/p-1/t24-;;;;17-;;;;4-;;;/m0...0...0.../s1.

What are the key properties of lithium;(2S)-2-aminobutanenitrile;benzyl carbonochloridate;benzyl 4-[4-[[5-chloro-4-[4-[[(1S)-1-cyanopropyl]carbamoyl]phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;4-[5-chloro-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide;N,N-diethylethanamine;methanol;methyl 4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide?

lithium;(2S)-2-aminobutanenitrile;benzyl carbonochloridate;benzyl 4-[4-[[5-chloro-4-[4-[[(1S)-1-cyanopropyl]carbamoyl]phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;4-[5-chloro-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide;N,N-diethylethanamine;methanol;methyl 4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide has a molecular weight of 3481.84 g/mol, XLogP of 29.48, 46 rotatable bonds, 13 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(2S)-2-aminobutanenitrile;benzyl carbonochloridate;benzyl 4-[4-[[5-chloro-4-[4-[[(1S)-1-cyanopropyl]carbamoyl]phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;4-[5-chloro-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide;N,N-diethylethanamine;methanol;methyl 4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide is sourced from PubChem (CID 167532870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).