acetonitrile;[6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl 3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;tert-butyl N-[1-[3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;(2,3-dichlorophenyl)boronic acid;oxolane

C115H172BBr2Cl6N25O17Si3 — CID 159517264

About acetonitrile;[6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl 3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;tert-butyl N-[1-[3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;(2,3-dichlorophenyl)boronic acid;oxolane

acetonitrile;[6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl 3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;tert-butyl N-[1-[3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;(2,3-dichlorophenyl)boronic acid;oxolane (PubChem CID 159517264) has the molecular formula C115H172BBr2Cl6N25O17Si3 and a molecular weight of 2644.39 g/mol. Its IUPAC name is acetonitrile;[6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl 3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;tert-butyl N-[1-[3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;(2,3-dichlorophenyl)boronic acid;oxolane.

Molecular Properties

• Compound Name: acetonitrile;[6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl 3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;tert-butyl N-[1-[3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;(2,3-dichlorophenyl)boronic acid;oxolane
• PubChem CID: 159517264
• Molecular Formula: C115H172BBr2Cl6N25O17Si3
• Molecular Weight: 2644.39 g/mol
• Exact Mass: 2637.93
• IUPAC Name: acetonitrile;[6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl 3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;tert-butyl N-[1-[3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;(2,3-dichlorophenyl)boronic acid;oxolane
• SMILES: C1CCOC1.CC#N.CC1(N)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2CO)CC1.CC1(NC(=O)OC(C)(C)C)CCN(c2nc3c(nc2CO[Si](C)(C)C(C)(C)C)c(-c2cccc(Cl)c2Cl)nn3C(=O)OC(C)(C)C)CC1.CC1(NC(=O)OC(C)(C)C)CCN(c2nc3c(nc2CO[Si](C)(C)C(C)(C)C)c(Br)nn3C(=O)OC(C)(C)C)CC1.CC1(NC(=O)OC(C)(C)C)CCN(c2nc3n[nH]c(Br)c3nc2CO[Si](C)(C)C(C)(C)C)CC1.OB(O)c1cccc(Cl)c1Cl
• InChI: InChI=1S/C34H50Cl2N6O5Si.C28H47BrN6O5Si.C23H39BrN6O3Si.C18H20Cl2N6O.C6H5BCl2O2.C4H8O.C2H3N/c1-31(2,3)46-29(43)39-34(10)16-18-41(19-17-34)27-23(20-45-48(11,12)33(7,8)9)37-26-25(21-14-13-15-22(35)24(21)36)40-42(28(26)38-27)30(44)47-32(4,5)6;1-25(2,3)39-23(36)32-28(10)13-15-34(16-14-28)21-18(17-38-41(11,12)27(7,8)9)30-19-20(29)33-35(22(19)31-21)24(37)40-26(4,5)6;1-21(2,3)33-20(31)27-23(7)10-12-30(13-11-23)19-15(14-32-34(8,9)22(4,5)6)25-16-17(24)28-29-18(16)26-19;1-18(21)5-7-26(8-6-18)17-12(9-27)22-15-14(24-25-16(15)23-17)10-3-2-4-11(19)13(10)20;8-5-3-1-2-4(6(5)9)7(10)11;1-2-4-5-3-1;1-2-3/h13-15H,16-20H2,1-12H3,(H,39,43);13-17H2,1-12H3,(H,32,36);10-14H2,1-9H3,(H,27,31)(H,26,28,29);2-4,27H,5-9,21H2,1H3,(H,23,24,25);1-3,10-11H;1-4H2;1H3
• InChIKey: MBIYNQRHMMMORE-UHFFFAOYSA-N
• XLogP: 26.42
• TPSA: 524.09 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 20
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2644.39
LogP ≤ 5	26.42
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetonitrile;[6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl 3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;tert-butyl N-[1-[3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;(2,3-dichlorophenyl)boronic acid;oxolane?

The IUPAC name of acetonitrile;[6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl 3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;tert-butyl N-[1-[3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;(2,3-dichlorophenyl)boronic acid;oxolane (CID 159517264) is acetonitrile;[6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl 3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;tert-butyl N-[1-[3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;(2,3-dichlorophenyl)boronic acid;oxolane.

What is the SMILES notation for acetonitrile;[6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl 3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;tert-butyl N-[1-[3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;(2,3-dichlorophenyl)boronic acid;oxolane?

The canonical SMILES for acetonitrile;[6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl 3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;tert-butyl N-[1-[3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;(2,3-dichlorophenyl)boronic acid;oxolane is C1CCOC1.CC#N.CC1(N)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2CO)CC1.CC1(NC(=O)OC(C)(C)C)CCN(c2nc3c(nc2CO[Si](C)(C)C(C)(C)C)c(-c2cccc(Cl)c2Cl)nn3C(=O)OC(C)(C)C)CC1.CC1(NC(=O)OC(C)(C)C)CCN(c2nc3c(nc2CO[Si](C)(C)C(C)(C)C)c(Br)nn3C(=O)OC(C)(C)C)CC1.CC1(NC(=O)OC(C)(C)C)CCN(c2nc3n[nH]c(Br)c3nc2CO[Si](C)(C)C(C)(C)C)CC1.OB(O)c1cccc(Cl)c1Cl.

What is the InChIKey of acetonitrile;[6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl 3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;tert-butyl N-[1-[3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;(2,3-dichlorophenyl)boronic acid;oxolane?

The InChIKey is MBIYNQRHMMMORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50Cl2N6O5Si.C28H47BrN6O5Si.C23H39BrN6O3Si.C18H20Cl2N6O.C6H5BCl2O2.C4H8O.C2H3N/c1-31(2,3)46-29(43)39-34(10)16-18-41(19-17-34)27-23(20-45-48(11,12)33(7,8)9)37-26-25(21-14-13-15-22(35)24(21)36)40-42(28(26)38-27)30(44)47-32(4,5)6;1-25(2,3)39-23(36)32-28(10)13-15-34(16-14-28)21-18(17-38-41(11,12)27(7,8)9)30-19-20(29)33-35(22(19)31-21)24(37)40-26(4,5)6;1-21(2,3)33-20(31)27-23(7)10-12-30(13-11-23)19-15(14-32-34(8,9)22(4,5)6)25-16-17(24)28-29-18(16)26-19;1-18(21)5-7-26(8-6-18)17-12(9-27)22-15-14(24-25-16(15)23-17)10-3-2-4-11(19)13(10)20;8-5-3-1-2-4(6(5)9)7(10)11;1-2-4-5-3-1;1-2-3/h13-15H,16-20H2,1-12H3,(H,39,43);13-17H2,1-12H3,(H,32,36);10-14H2,1-9H3,(H,27,31)(H,26,28,29);2-4,27H,5-9,21H2,1H3,(H,23,24,25);1-3,10-11H;1-4H2;1H3.

What are the key properties of acetonitrile;[6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl 3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;tert-butyl N-[1-[3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;(2,3-dichlorophenyl)boronic acid;oxolane?

acetonitrile;[6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl 3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;tert-butyl N-[1-[3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;(2,3-dichlorophenyl)boronic acid;oxolane has a molecular weight of 2644.39 g/mol, XLogP of 26.42, 20 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for acetonitrile;[6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]methanol;tert-butyl 3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;tert-butyl N-[1-[3-bromo-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]carbamate;tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;(2,3-dichlorophenyl)boronic acid;oxolane is sourced from PubChem (CID 159517264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).