dipotassium;5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;tert-butyl 4-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;hydride;methane;5-methyl-1,3-benzoxazol-2-amine;oxido formate;2,2,2-trifluoroacetic acid

C87H120F3IK2N26O17 — CID 163931238

About dipotassium;5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;tert-butyl 4-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;hydride;methane;5-methyl-1,3-benzoxazol-2-amine;oxido formate;2,2,2-trifluoroacetic acid

dipotassium;5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;tert-butyl 4-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;hydride;methane;5-methyl-1,3-benzoxazol-2-amine;oxido formate;2,2,2-trifluoroacetic acid (PubChem CID 163931238) has the molecular formula C87H120F3IK2N26O17 and a molecular weight of 2064.18 g/mol. Its IUPAC name is dipotassium;5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;tert-butyl 4-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;hydride;methane;5-methyl-1,3-benzoxazol-2-amine;oxido formate;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: dipotassium;5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;tert-butyl 4-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;hydride;methane;5-methyl-1,3-benzoxazol-2-amine;oxido formate;2,2,2-trifluoroacetic acid
• PubChem CID: 163931238
• Molecular Formula: C87H120F3IK2N26O17
• Molecular Weight: 2064.18 g/mol
• Exact Mass: 2062.76
• IUPAC Name: dipotassium;5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;tert-butyl 4-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;hydride;methane;5-methyl-1,3-benzoxazol-2-amine;oxido formate;2,2,2-trifluoroacetic acid
• SMILES: C.CC(C)(C)OC(=O)N1CCC(O)CC1.CC(C)(C)OC(=O)N1CCC(n2nc(-c3ccc4oc(N)nc4c3)c3c(N)ncnc32)CC1.CC(C)(C)OC(=O)N1CCC(n2nc(I)c3c(N)ncnc32)CC1.CC1CCN(C(=O)OC(C)(C)C)CC1.Cc1ccc2oc(N)nc2c1.Nc1nc2cc(-c3nn(C4CCNCC4)c4ncnc(N)c34)ccc2o1.O=C(O)C(F)(F)F.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C22H26N8O3.C17H18N8O.C15H21IN6O2.C11H21NO2.C10H19NO3.C8H8N2O.C2HF3O2.CH2O3.CH4.2K.H/c1-22(2,3)33-21(31)29-8-6-13(7-9-29)30-19-16(18(23)25-11-26-19)17(28-30)12-4-5-15-14(10-12)27-20(24)32-15;18-15-13-14(9-1-2-12-11(7-9)23-17(19)26-12)24-25(16(13)22-8-21-15)10-3-5-20-6-4-10;1-15(2,3)24-14(23)21-6-4-9(5-7-21)22-13-10(11(16)20-22)12(17)18-8-19-13;1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-5-2-3-7-6(4-5)10-8(9)11-7;3-2(4,5)1(6)7;2-1-4-3;;;;/h4-5,10-11,13H,6-9H2,1-3H3,(H2,24,27)(H2,23,25,26);1-2,7-8,10,20H,3-6H2,(H2,19,23)(H2,18,21,22);8-9H,4-7H2,1-3H3,(H2,17,18,19);9H,5-8H2,1-4H3;8,12H,4-7H2,1-3H3;2-4H,1H3,(H2,9,10);(H,6,7);1,3H;1H4;;;/q;;;;;;;;;2*+1;-1/p-1
• InChIKey: VEIBAFCJWLUDRR-UHFFFAOYSA-M
• XLogP: 7.25
• TPSA: 602.09 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 6
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2064.18
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;tert-butyl 4-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;hydride;methane;5-methyl-1,3-benzoxazol-2-amine;oxido formate;2,2,2-trifluoroacetic acid?

The IUPAC name of dipotassium;5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;tert-butyl 4-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;hydride;methane;5-methyl-1,3-benzoxazol-2-amine;oxido formate;2,2,2-trifluoroacetic acid (CID 163931238) is dipotassium;5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;tert-butyl 4-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;hydride;methane;5-methyl-1,3-benzoxazol-2-amine;oxido formate;2,2,2-trifluoroacetic acid.

What is the SMILES notation for dipotassium;5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;tert-butyl 4-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;hydride;methane;5-methyl-1,3-benzoxazol-2-amine;oxido formate;2,2,2-trifluoroacetic acid?

The canonical SMILES for dipotassium;5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;tert-butyl 4-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;hydride;methane;5-methyl-1,3-benzoxazol-2-amine;oxido formate;2,2,2-trifluoroacetic acid is C.CC(C)(C)OC(=O)N1CCC(O)CC1.CC(C)(C)OC(=O)N1CCC(n2nc(-c3ccc4oc(N)nc4c3)c3c(N)ncnc32)CC1.CC(C)(C)OC(=O)N1CCC(n2nc(I)c3c(N)ncnc32)CC1.CC1CCN(C(=O)OC(C)(C)C)CC1.Cc1ccc2oc(N)nc2c1.Nc1nc2cc(-c3nn(C4CCNCC4)c4ncnc(N)c34)ccc2o1.O=C(O)C(F)(F)F.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;tert-butyl 4-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;hydride;methane;5-methyl-1,3-benzoxazol-2-amine;oxido formate;2,2,2-trifluoroacetic acid?

The InChIKey is VEIBAFCJWLUDRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H26N8O3.C17H18N8O.C15H21IN6O2.C11H21NO2.C10H19NO3.C8H8N2O.C2HF3O2.CH2O3.CH4.2K.H/c1-22(2,3)33-21(31)29-8-6-13(7-9-29)30-19-16(18(23)25-11-26-19)17(28-30)12-4-5-15-14(10-12)27-20(24)32-15;18-15-13-14(9-1-2-12-11(7-9)23-17(19)26-12)24-25(16(13)22-8-21-15)10-3-5-20-6-4-10;1-15(2,3)24-14(23)21-6-4-9(5-7-21)22-13-10(11(16)20-22)12(17)18-8-19-13;1-9-5-7-12(8-6-9)10(13)14-11(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-5-2-3-7-6(4-5)10-8(9)11-7;3-2(4,5)1(6)7;2-1-4-3;;;;/h4-5,10-11,13H,6-9H2,1-3H3,(H2,24,27)(H2,23,25,26);1-2,7-8,10,20H,3-6H2,(H2,19,23)(H2,18,21,22);8-9H,4-7H2,1-3H3,(H2,17,18,19);9H,5-8H2,1-4H3;8,12H,4-7H2,1-3H3;2-4H,1H3,(H2,9,10);(H,6,7);1,3H;1H4;;;/q;;;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;tert-butyl 4-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;hydride;methane;5-methyl-1,3-benzoxazol-2-amine;oxido formate;2,2,2-trifluoroacetic acid?

dipotassium;5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;tert-butyl 4-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;hydride;methane;5-methyl-1,3-benzoxazol-2-amine;oxido formate;2,2,2-trifluoroacetic acid has a molecular weight of 2064.18 g/mol, XLogP of 7.25, 6 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;5-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;tert-butyl 4-[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;hydride;methane;5-methyl-1,3-benzoxazol-2-amine;oxido formate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 163931238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).