5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-bromo-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;cyclopropylboronic acid;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 4-bromo-2-(bromomethyl)benzoate

C102H116BBr3N32O8 — CID 159333717

About 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-bromo-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;cyclopropylboronic acid;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 4-bromo-2-(bromomethyl)benzoate

5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-bromo-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;cyclopropylboronic acid;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 4-bromo-2-(bromomethyl)benzoate (PubChem CID 159333717) has the molecular formula C102H116BBr3N32O8 and a molecular weight of 2168.79 g/mol. Its IUPAC name is 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-bromo-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;cyclopropylboronic acid;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 4-bromo-2-(bromomethyl)benzoate.

Molecular Properties

• Compound Name: 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-bromo-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;cyclopropylboronic acid;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 4-bromo-2-(bromomethyl)benzoate
• PubChem CID: 159333717
• Molecular Formula: C102H116BBr3N32O8
• Molecular Weight: 2168.79 g/mol
• Exact Mass: 2164.73
• IUPAC Name: 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-bromo-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;cyclopropylboronic acid;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 4-bromo-2-(bromomethyl)benzoate
• SMILES: COC(=O)c1ccc(Br)cc1CBr.C[C@@H]1[C@H](N)CCCN1c1cnc(C#N)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](N2Cc3cc(Br)ccc3C2=O)CCCN1c1cnc(C#N)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](N2Cc3cc(C4CC4)ccc3C2=O)CCCN1c1cnc(C#N)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](N2Cc3cc(C4CC4)ccc3C2=O)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.OB(O)C1CC1
• InChI: InChI=1S/C26H30N8O2.C26H28N8O.C23H23BrN8O.C15H20N8.C9H8Br2O2.C3H7BO2/c1-15-21(34-13-18-10-17(16-5-6-16)7-8-20(18)26(34)36)4-3-9-33(15)22-12-28-23(24(27)35)25(31-22)30-19-11-29-32(2)14-19;1-16-23(34-14-19-10-18(17-5-6-17)7-8-21(19)26(34)35)4-3-9-33(16)24-13-28-22(11-27)25(31-24)30-20-12-29-32(2)15-20;1-14-20(32-12-15-8-16(24)5-6-18(15)23(32)33)4-3-7-31(14)21-11-26-19(9-25)22(29-21)28-17-10-27-30(2)13-17;1-10-12(17)4-3-5-23(10)14-8-18-13(6-16)15(21-14)20-11-7-19-22(2)9-11;1-13-9(12)8-3-2-7(11)4-6(8)5-10;5-4(6)3-1-2-3/h7-8,10-12,14-16,21H,3-6,9,13H2,1-2H3,(H2,27,35)(H,30,31);7-8,10,12-13,15-17,23H,3-6,9,14H2,1-2H3,(H,30,31);5-6,8,10-11,13-14,20H,3-4,7,12H2,1-2H3,(H,28,29);7-10,12H,3-5,17H2,1-2H3,(H,20,21);2-4H,5H2,1H3;3,5-6H,1-2H2/t15-,21-;16-,23-;14-,20-;10-,12-;;/m1111../s1
• InChIKey: LFGMHKYJZCAHDZ-UJFWLUFUSA-N
• XLogP: 14.16
• TPSA: 503.65 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2168.79
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-bromo-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;cyclopropylboronic acid;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 4-bromo-2-(bromomethyl)benzoate?

The IUPAC name of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-bromo-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;cyclopropylboronic acid;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 4-bromo-2-(bromomethyl)benzoate (CID 159333717) is 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-bromo-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;cyclopropylboronic acid;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 4-bromo-2-(bromomethyl)benzoate.

What is the SMILES notation for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-bromo-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;cyclopropylboronic acid;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 4-bromo-2-(bromomethyl)benzoate?

The canonical SMILES for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-bromo-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;cyclopropylboronic acid;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 4-bromo-2-(bromomethyl)benzoate is COC(=O)c1ccc(Br)cc1CBr.C[C@@H]1[C@H](N)CCCN1c1cnc(C#N)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](N2Cc3cc(Br)ccc3C2=O)CCCN1c1cnc(C#N)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](N2Cc3cc(C4CC4)ccc3C2=O)CCCN1c1cnc(C#N)c(Nc2cnn(C)c2)n1.C[C@@H]1[C@H](N2Cc3cc(C4CC4)ccc3C2=O)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.OB(O)C1CC1.

What is the InChIKey of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-bromo-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;cyclopropylboronic acid;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 4-bromo-2-(bromomethyl)benzoate?

The InChIKey is LFGMHKYJZCAHDZ-UJFWLUFUSA-N. The full InChI is InChI=1S/C26H30N8O2.C26H28N8O.C23H23BrN8O.C15H20N8.C9H8Br2O2.C3H7BO2/c1-15-21(34-13-18-10-17(16-5-6-16)7-8-20(18)26(34)36)4-3-9-33(15)22-12-28-23(24(27)35)25(31-22)30-19-11-29-32(2)14-19;1-16-23(34-14-19-10-18(17-5-6-17)7-8-21(19)26(34)35)4-3-9-33(16)24-13-28-22(11-27)25(31-24)30-20-12-29-32(2)15-20;1-14-20(32-12-15-8-16(24)5-6-18(15)23(32)33)4-3-7-31(14)21-11-26-19(9-25)22(29-21)28-17-10-27-30(2)13-17;1-10-12(17)4-3-5-23(10)14-8-18-13(6-16)15(21-14)20-11-7-19-22(2)9-11;1-13-9(12)8-3-2-7(11)4-6(8)5-10;5-4(6)3-1-2-3/h7-8,10-12,14-16,21H,3-6,9,13H2,1-2H3,(H2,27,35)(H,30,31);7-8,10,12-13,15-17,23H,3-6,9,14H2,1-2H3,(H,30,31);5-6,8,10-11,13-14,20H,3-4,7,12H2,1-2H3,(H,28,29);7-10,12H,3-5,17H2,1-2H3,(H,20,21);2-4H,5H2,1H3;3,5-6H,1-2H2/t15-,21-;16-,23-;14-,20-;10-,12-;;/m1111../s1.

What are the key properties of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-bromo-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;cyclopropylboronic acid;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 4-bromo-2-(bromomethyl)benzoate?

5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-bromo-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;cyclopropylboronic acid;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 4-bromo-2-(bromomethyl)benzoate has a molecular weight of 2168.79 g/mol, XLogP of 14.16, 21 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-bromo-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;cyclopropylboronic acid;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carbonitrile;5-[(2R,3R)-3-(6-cyclopropyl-3-oxo-1H-isoindol-2-yl)-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide;methyl 4-bromo-2-(bromomethyl)benzoate is sourced from PubChem (CID 159333717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).