6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

C₅₉H₆₉BrCl₂N₂₂O₂ — CID 159940269

About 6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (PubChem CID 159940269) has the molecular formula C₅₉H₆₉BrCl₂N₂₂O₂ and a molecular weight of 1269.16 g/mol. Its IUPAC name is 6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.

Molecular Properties

• Compound Name: 6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
• PubChem CID: 159940269
• Molecular Formula: C₅₉H₆₉BrCl₂N₂₂O₂
• Molecular Weight: 1269.16 g/mol
• Exact Mass: 1266.45
• IUPAC Name: 6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
• SMILES: CC1(N)CCN(c2cnc3c(Nc4cccnc4Cl)[nH]nc3n2)CC1.COc1ccc(Cn2nc(Br)c3ncc(N4CCC(C)(N)CC4)nc32)cc1.COc1ccc(Cn2nc(Nc3cccnc3Cl)c3ncc(N4CCC(C)(N)CC4)nc32)cc1
• InChI: InChI=1S/C24H27ClN8O.C19H23BrN6O.C16H19ClN8/c1-24(26)9-12-32(13-10-24)19-14-28-20-22(29-18-4-3-11-27-21(18)25)31-33(23(20)30-19)15-16-5-7-17(34-2)8-6-16;1-19(21)7-9-25(10-8-19)15-11-22-16-17(20)24-26(18(16)23-15)12-13-3-5-14(27-2)6-4-13;1-16(18)4-7-25(8-5-16)11-9-20-12-14(23-24-15(12)22-11)21-10-3-2-6-19-13(10)17/h3-8,11,14H,9-10,12-13,15,26H2,1-2H3,(H,29,31);3-6,11H,7-10,12,21H2,1-2H3;2-3,6,9H,4-5,7-8,18H2,1H3,(H2,21,22,23,24)
• InChIKey: OAUCNFZSOBTYGW-UHFFFAOYSA-N
• XLogP: 9.42
• TPSA: 297.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1269.16
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?

The IUPAC name of 6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine (CID 159940269) is 6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine.

What is the SMILES notation for 6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?

The canonical SMILES for 6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is CC1(N)CCN(c2cnc3c(Nc4cccnc4Cl)[nH]nc3n2)CC1.COc1ccc(Cn2nc(Br)c3ncc(N4CCC(C)(N)CC4)nc32)cc1.COc1ccc(Cn2nc(Nc3cccnc3Cl)c3ncc(N4CCC(C)(N)CC4)nc32)cc1.

What is the InChIKey of 6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?

The InChIKey is OAUCNFZSOBTYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN8O.C19H23BrN6O.C16H19ClN8/c1-24(26)9-12-32(13-10-24)19-14-28-20-22(29-18-4-3-11-27-21(18)25)31-33(23(20)30-19)15-16-5-7-17(34-2)8-6-16;1-19(21)7-9-25(10-8-19)15-11-22-16-17(20)24-26(18(16)23-15)12-13-3-5-14(27-2)6-4-13;1-16(18)4-7-25(8-5-16)11-9-20-12-14(23-24-15(12)22-11)21-10-3-2-6-19-13(10)17/h3-8,11,14H,9-10,12-13,15,26H2,1-2H3,(H,29,31);3-6,11H,7-10,12,21H2,1-2H3;2-3,6,9H,4-5,7-8,18H2,1H3,(H2,21,22,23,24).

What are the key properties of 6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine?

6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine has a molecular weight of 1269.16 g/mol, XLogP of 9.42, 13 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine;6-(4-amino-4-methylpiperidin-1-yl)-N-(2-chloro-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;1-[3-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine is sourced from PubChem (CID 159940269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159940269 — identifiers, structure, computed properties (public domain)

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