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

C62H73Cl4N17O5 — CID 160614759

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

3-[(3-chloro-2-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(3-chloro-2-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;dihydrochloride (PubChem CID 160614759) has the molecular formula C62H73Cl4N17O5 and a molecular weight of 1278.19 g/mol. Its IUPAC name is 3-[(3-chloro-2-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(3-chloro-2-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;dihydrochloride.

Molecular Properties

• Compound Name: 3-[(3-chloro-2-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(3-chloro-2-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;dihydrochloride
• PubChem CID: 160614759
• Molecular Formula: C62H73Cl4N17O5
• Molecular Weight: 1278.19 g/mol
• Exact Mass: 1275.47
• IUPAC Name: 3-[(3-chloro-2-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(3-chloro-2-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;dihydrochloride
• SMILES: CC1(N)CCN(c2cnc3c(n2)CN=C3Oc2ncccc2Cl)CC1.COc1ccc(Cn2[nH]c(=O)c3ncc(N4CCC(C)(C)CC4)nc32)cc1.COc1ccc(Cn2nc(Oc3ncccc3Cl)c3ncc(N4CCC(C)(C)CC4)nc32)cc1.Cl.Cl
• InChI: InChI=1S/C25H27ClN6O2.C20H25N5O2.C17H19ClN6O.2ClH/c1-25(2)10-13-31(14-11-25)20-15-28-21-22(29-20)32(16-17-6-8-18(33-3)9-7-17)30-24(21)34-23-19(26)5-4-12-27-23;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)4-7-24(8-5-17)13-10-21-14-12(23-13)9-22-16(14)25-15-11(18)3-2-6-20-15;;/h4-9,12,15H,10-11,13-14,16H2,1-3H3;4-7,12H,8-11,13H2,1-3H3,(H,23,26);2-3,6,10H,4-5,7-9,19H2,1H3;2*1H
• InChIKey: MHCKBMWPEOORNU-UHFFFAOYSA-N
• XLogP: 11.18
• TPSA: 243.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1278.19
LogP ≤ 5	11.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of 3-[(3-chloro-2-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(3-chloro-2-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;dihydrochloride (CID 160614759) is 3-[(3-chloro-2-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(3-chloro-2-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;dihydrochloride.

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

The canonical SMILES for 3-[(3-chloro-2-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(3-chloro-2-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;dihydrochloride is CC1(N)CCN(c2cnc3c(n2)CN=C3Oc2ncccc2Cl)CC1.COc1ccc(Cn2[nH]c(=O)c3ncc(N4CCC(C)(C)CC4)nc32)cc1.COc1ccc(Cn2nc(Oc3ncccc3Cl)c3ncc(N4CCC(C)(C)CC4)nc32)cc1.Cl.Cl.

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

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

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

3-[(3-chloro-2-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(3-chloro-2-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;dihydrochloride has a molecular weight of 1278.19 g/mol, XLogP of 11.18, 12 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-chloro-2-pyridinyl)oxy]-6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazine;1-[7-[(3-chloro-2-pyridinyl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine;6-(4,4-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyrazin-3-one;dihydrochloride is sourced from PubChem (CID 160614759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).