3-[(4-chloro-3-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(4-chloro-3-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-3-[(4-nitro-3-pyridinyl)oxy]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]oxypyridin-4-amine;hydrochloride

C₁₁₂H₁₂₈Cl₃N₃₁O₁₁ — CID 159612502

About 3-[(4-chloro-3-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(4-chloro-3-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-3-[(4-nitro-3-pyridinyl)oxy]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]oxypyridin-4-amine;hydrochloride

3-[(4-chloro-3-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(4-chloro-3-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-3-[(4-nitro-3-pyridinyl)oxy]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]oxypyridin-4-amine;hydrochloride (PubChem CID 159612502) has the molecular formula C₁₁₂H₁₂₈Cl₃N₃₁O₁₁ and a molecular weight of 2190.82 g/mol. Its IUPAC name is 3-[(4-chloro-3-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(4-chloro-3-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-3-[(4-nitro-3-pyridinyl)oxy]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]oxypyridin-4-amine;hydrochloride.

Molecular Properties

• Compound Name: 3-[(4-chloro-3-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(4-chloro-3-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-3-[(4-nitro-3-pyridinyl)oxy]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]oxypyridin-4-amine;hydrochloride
• PubChem CID: 159612502
• Molecular Formula: C₁₁₂H₁₂₈Cl₃N₃₁O₁₁
• Molecular Weight: 2190.82 g/mol
• Exact Mass: 2187.95
• IUPAC Name: 3-[(4-chloro-3-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(4-chloro-3-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-3-[(4-nitro-3-pyridinyl)oxy]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]oxypyridin-4-amine;hydrochloride
• SMILES: CC1(N)CCN(c2cnc3c(n2)CN=C3Oc2cnccc2Cl)CC1.COc1ccc(Cn2[nH]c(=O)c3ncc(N4CCC(C)(C)CC4)nc32)cc1.COc1ccc(Cn2nc(Oc3cnccc3Cl)c3ncc(N4CCC(C)(C)CC4)nc32)cc1.COc1ccc(Cn2nc(Oc3cnccc3N)c3ncc(N4CCC(C)(C)CC4)nc32)cc1.COc1ccc(Cn2nc(Oc3cnccc3[N+](=O)[O-])c3ncc(N4CCC(C)(C)CC4)nc32)cc1.Cl
• InChI: InChI=1S/C25H27ClN6O2.C25H27N7O4.C25H29N7O2.C20H25N5O2.C17H19ClN6O.ClH/c1-25(2)9-12-31(13-10-25)21-15-28-22-23(29-21)32(16-17-4-6-18(33-3)7-5-17)30-24(22)34-20-14-27-11-8-19(20)26;1-25(2)9-12-30(13-10-25)21-15-27-22-23(28-21)31(16-17-4-6-18(35-3)7-5-17)29-24(22)36-20-14-26-11-8-19(20)32(33)34;1-25(2)9-12-31(13-10-25)21-15-28-22-23(29-21)32(16-17-4-6-18(33-3)7-5-17)30-24(22)34-20-14-27-11-8-19(20)26;1-20(2)8-10-24(11-9-20)16-12-21-17-18(22-16)25(23-19(17)26)13-14-4-6-15(27-3)7-5-14;1-17(19)3-6-24(7-4-17)14-10-21-15-12(23-14)8-22-16(15)25-13-9-20-5-2-11(13)18;/h4-8,11,14-15H,9-10,12-13,16H2,1-3H3;4-8,11,14-15H,9-10,12-13,16H2,1-3H3;4-8,11,14-15H,9-10,12-13,16H2,1-3H3,(H2,26,27);4-7,12H,8-11,13H2,1-3H3,(H,23,26);2,5,9-10H,3-4,6-8,19H2,1H3;1H
• InChIKey: JZYAJHGSXOFNPP-UHFFFAOYSA-N
• XLogP: 19.64
• TPSA: 469.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 25
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2190.82
LogP ≤ 5	19.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(4-chloro-3-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-3-[(4-nitro-3-pyridinyl)oxy]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]oxypyridin-4-amine;hydrochloride?

The IUPAC name of 3-[(4-chloro-3-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(4-chloro-3-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-3-[(4-nitro-3-pyridinyl)oxy]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]oxypyridin-4-amine;hydrochloride (CID 159612502) is 3-[(4-chloro-3-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(4-chloro-3-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-3-[(4-nitro-3-pyridinyl)oxy]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]oxypyridin-4-amine;hydrochloride.

What is the SMILES notation for 3-[(4-chloro-3-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(4-chloro-3-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-3-[(4-nitro-3-pyridinyl)oxy]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]oxypyridin-4-amine;hydrochloride?

The canonical SMILES for 3-[(4-chloro-3-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(4-chloro-3-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-3-[(4-nitro-3-pyridinyl)oxy]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]oxypyridin-4-amine;hydrochloride is CC1(N)CCN(c2cnc3c(n2)CN=C3Oc2cnccc2Cl)CC1.COc1ccc(Cn2[nH]c(=O)c3ncc(N4CCC(C)(C)CC4)nc32)cc1.COc1ccc(Cn2nc(Oc3cnccc3Cl)c3ncc(N4CCC(C)(C)CC4)nc32)cc1.COc1ccc(Cn2nc(Oc3cnccc3N)c3ncc(N4CCC(C)(C)CC4)nc32)cc1.COc1ccc(Cn2nc(Oc3cnccc3[N+](=O)[O-])c3ncc(N4CCC(C)(C)CC4)nc32)cc1.Cl.

What is the InChIKey of 3-[(4-chloro-3-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(4-chloro-3-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-3-[(4-nitro-3-pyridinyl)oxy]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]oxypyridin-4-amine;hydrochloride?

The InChIKey is JZYAJHGSXOFNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O2.C25H27N7O4.C25H29N7O2.C20H25N5O2.C17H19ClN6O.ClH/c1-25(2)9-12-31(13-10-25)21-15-28-22-23(29-21)32(16-17-4-6-18(33-3)7-5-17)30-24(22)34-20-14-27-11-8-19(20)26;1-25(2)9-12-30(13-10-25)21-15-27-22-23(28-21)31(16-17-4-6-18(35-3)7-5-17)29-24(22)36-20-14-26-11-8-19(20)32(33)34;1-25(2)9-12-31(13-10-25)21-15-28-22-23(29-21)32(16-17-4-6-18(33-3)7-5-17)30-24(22)34-20-14-27-11-8-19(20)26;1-20(2)8-10-24(11-9-20)16-12-21-17-18(22-16)25(23-19(17)26)13-14-4-6-15(27-3)7-5-14;1-17(19)3-6-24(7-4-17)14-10-21-15-12(23-14)8-22-16(15)25-13-9-20-5-2-11(13)18;/h4-8,11,14-15H,9-10,12-13,16H2,1-3H3;4-8,11,14-15H,9-10,12-13,16H2,1-3H3;4-8,11,14-15H,9-10,12-13,16H2,1-3H3,(H2,26,27);4-7,12H,8-11,13H2,1-3H3,(H,23,26);2,5,9-10H,3-4,6-8,19H2,1H3;1H.

What are the key properties of 3-[(4-chloro-3-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(4-chloro-3-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-3-[(4-nitro-3-pyridinyl)oxy]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]oxypyridin-4-amine;hydrochloride?

3-[(4-chloro-3-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(4-chloro-3-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-3-[(4-nitro-3-pyridinyl)oxy]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]oxypyridin-4-amine;hydrochloride has a molecular weight of 2190.82 g/mol, XLogP of 19.64, 25 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-chloro-3-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(4-chloro-3-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-3-[(4-nitro-3-pyridinyl)oxy]pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;3-[6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]oxypyridin-4-amine;hydrochloride is sourced from PubChem (CID 159612502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159612502 — identifiers, structure, computed properties (public domain)

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