tert-butyl 5-bromo-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,5-b]pyrazine-1-carboxylate;tert-butyl 3-(2,3-dichlorophenyl)-5-methyl-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;oxolane

C94H115BrCl8N24O9 — CID 157440040

About tert-butyl 5-bromo-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,5-b]pyrazine-1-carboxylate;tert-butyl 3-(2,3-dichlorophenyl)-5-methyl-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;oxolane

tert-butyl 5-bromo-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,5-b]pyrazine-1-carboxylate;tert-butyl 3-(2,3-dichlorophenyl)-5-methyl-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;oxolane (PubChem CID 157440040) has the molecular formula C94H115BrCl8N24O9 and a molecular weight of 2088.64 g/mol. Its IUPAC name is tert-butyl 5-bromo-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,5-b]pyrazine-1-carboxylate;tert-butyl 3-(2,3-dichlorophenyl)-5-methyl-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;oxolane.

Molecular Properties

• Compound Name: tert-butyl 5-bromo-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,5-b]pyrazine-1-carboxylate;tert-butyl 3-(2,3-dichlorophenyl)-5-methyl-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;oxolane
• PubChem CID: 157440040
• Molecular Formula: C94H115BrCl8N24O9
• Molecular Weight: 2088.64 g/mol
• Exact Mass: 2082.60
• IUPAC Name: tert-butyl 5-bromo-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,5-b]pyrazine-1-carboxylate;tert-butyl 3-(2,3-dichlorophenyl)-5-methyl-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;oxolane
• SMILES: C1CCOC1.CC1(N)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.CC1(NC(=O)OC(C)(C)C)CCN(c2nc3c(nc2Br)c(-c2cccc(Cl)c2Cl)nn3C(=O)OC(C)(C)C)CC1.Cc1nc2c(-c3cccc(Cl)c3Cl)[nH]nc2nc1N1CCC(C)(N)CC1.Cc1nc2c(-c3cccc(Cl)c3Cl)nn(C(=O)OC(C)(C)C)c2nc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1
• InChI: InChI=1S/C28H36Cl2N6O4.C27H33BrCl2N6O4.C18H20Cl2N6.C17H18Cl2N6.C4H8O/c1-16-22(35-14-12-28(8,13-15-35)33-24(37)39-26(2,3)4)32-23-21(31-16)20(17-10-9-11-18(29)19(17)30)34-36(23)25(38)40-27(5,6)7;1-25(2,3)39-23(37)33-27(7)11-13-35(14-12-27)22-20(28)31-19-18(15-9-8-10-16(29)17(15)30)34-36(21(19)32-22)24(38)40-26(4,5)6;1-10-17(26-8-6-18(2,21)7-9-26)23-16-15(22-10)14(24-25-16)11-4-3-5-12(19)13(11)20;1-17(20)5-7-25(8-6-17)12-9-21-15-14(23-24-16(15)22-12)10-3-2-4-11(18)13(10)19;1-2-4-5-3-1/h9-11H,12-15H2,1-8H3,(H,33,37);8-10H,11-14H2,1-7H3,(H,33,37);3-5H,6-9,21H2,1-2H3,(H,23,24,25);2-4,9H,5-8,20H2,1H3,(H,22,23,24);1-4H2
• InChIKey: BROHCYQJAZTNPW-UHFFFAOYSA-N
• XLogP: 22.40
• TPSA: 399.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 10
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2088.64
LogP ≤ 5	22.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-bromo-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,5-b]pyrazine-1-carboxylate;tert-butyl 3-(2,3-dichlorophenyl)-5-methyl-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;oxolane?

The IUPAC name of tert-butyl 5-bromo-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,5-b]pyrazine-1-carboxylate;tert-butyl 3-(2,3-dichlorophenyl)-5-methyl-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;oxolane (CID 157440040) is tert-butyl 5-bromo-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,5-b]pyrazine-1-carboxylate;tert-butyl 3-(2,3-dichlorophenyl)-5-methyl-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;oxolane.

What is the SMILES notation for tert-butyl 5-bromo-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,5-b]pyrazine-1-carboxylate;tert-butyl 3-(2,3-dichlorophenyl)-5-methyl-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;oxolane?

The canonical SMILES for tert-butyl 5-bromo-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,5-b]pyrazine-1-carboxylate;tert-butyl 3-(2,3-dichlorophenyl)-5-methyl-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;oxolane is C1CCOC1.CC1(N)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.CC1(NC(=O)OC(C)(C)C)CCN(c2nc3c(nc2Br)c(-c2cccc(Cl)c2Cl)nn3C(=O)OC(C)(C)C)CC1.Cc1nc2c(-c3cccc(Cl)c3Cl)[nH]nc2nc1N1CCC(C)(N)CC1.Cc1nc2c(-c3cccc(Cl)c3Cl)nn(C(=O)OC(C)(C)C)c2nc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1.

What is the InChIKey of tert-butyl 5-bromo-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,5-b]pyrazine-1-carboxylate;tert-butyl 3-(2,3-dichlorophenyl)-5-methyl-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;oxolane?

The InChIKey is BROHCYQJAZTNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36Cl2N6O4.C27H33BrCl2N6O4.C18H20Cl2N6.C17H18Cl2N6.C4H8O/c1-16-22(35-14-12-28(8,13-15-35)33-24(37)39-26(2,3)4)32-23-21(31-16)20(17-10-9-11-18(29)19(17)30)34-36(23)25(38)40-27(5,6)7;1-25(2,3)39-23(37)33-27(7)11-13-35(14-12-27)22-20(28)31-19-18(15-9-8-10-16(29)17(15)30)34-36(21(19)32-22)24(38)40-26(4,5)6;1-10-17(26-8-6-18(2,21)7-9-26)23-16-15(22-10)14(24-25-16)11-4-3-5-12(19)13(11)20;1-17(20)5-7-25(8-6-17)12-9-21-15-14(23-24-16(15)22-12)10-3-2-4-11(18)13(10)19;1-2-4-5-3-1/h9-11H,12-15H2,1-8H3,(H,33,37);8-10H,11-14H2,1-7H3,(H,33,37);3-5H,6-9,21H2,1-2H3,(H,23,24,25);2-4,9H,5-8,20H2,1H3,(H,22,23,24);1-4H2.

What are the key properties of tert-butyl 5-bromo-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,5-b]pyrazine-1-carboxylate;tert-butyl 3-(2,3-dichlorophenyl)-5-methyl-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;oxolane?

tert-butyl 5-bromo-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,5-b]pyrazine-1-carboxylate;tert-butyl 3-(2,3-dichlorophenyl)-5-methyl-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;oxolane has a molecular weight of 2088.64 g/mol, XLogP of 22.40, 10 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-bromo-3-(2,3-dichlorophenyl)-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[4,5-b]pyrazine-1-carboxylate;tert-butyl 3-(2,3-dichlorophenyl)-5-methyl-6-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[3,4-b]pyrazine-1-carboxylate;1-[3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine;oxolane is sourced from PubChem (CID 157440040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).