5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine

C95H97BrCl10N28O — CID 158289988

IUPAC5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCC1(C)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3[nH]c2=O)CC1.CC1(C)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2-c2ccn[nH]2)CC1.CC1(C)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2Br)CC1.CC1(C)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2C#N)CC1.Cc1nc2c(-c3cccc(Cl)c3Cl)[nH]nc2nc1N1CCC(C)(C)CC1
InChIInChI=1S/C21H21Cl2N7.C19H18Cl2N6.C19H21Cl2N5.C18H18BrCl2N5.C18H19Cl2N5O/c1-21(2)7-10-30(11-8-21)20-17(14-6-9-24-27-14)25-18-16(28-29-19(18)26-20)12-4-3-5-13(22)15(12)23;1-19(2)6-8-27(9-7-19)18-13(10-22)23-16-15(25-26-17(16)24-18)11-4-3-5-12(20)14(11)21;1-11-18(26-9-7-19(2,3)8-10-26)23-17-16(22-11)15(24-25-17)12-5-4-6-13(20)14(12)21;1-18(2)6-8-26(9-7-18)17-15(19)22-14-13(24-25-16(14)23-17)10-4-3-5-11(20)12(10)21;1-18(2)6-8-25(9-7-18)16-17(26)21-14-13(23-24-15(14)22-16)10-4-3-5-11(19)12(10)20/h3-6,9H,7-8,10-11H2,1-2H3,(H,24,27)(H,26,28,29);3-5H,6-9H2,1-2H3,(H,24,25,26);4-6H,7-10H2,1-3H3,(H,23,24,25);3-5H,6-9H2,1-2H3,(H,23,24,25);3-5H,6-9H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyGLFUQNBOEZXKSS-UHFFFAOYSA-N
MW2081.45 g/mol
LogP25.39
Rot. Bonds11

About 5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine

5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 158289988) has the molecular formula C95H97BrCl10N28O and a molecular weight of 2081.45 g/mol. Its IUPAC name is 5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine
PubChem CID158289988
Molecular FormulaC95H97BrCl10N28O
Molecular Weight2081.45 g/mol
Exact Mass2074.45
IUPAC Name5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCC1(C)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3[nH]c2=O)CC1.CC1(C)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2-c2ccn[nH]2)CC1.CC1(C)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2Br)CC1.CC1(C)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2C#N)CC1.Cc1nc2c(-c3cccc(Cl)c3Cl)[nH]nc2nc1N1CCC(C)(C)CC1
InChIInChI=1S/C21H21Cl2N7.C19H18Cl2N6.C19H21Cl2N5.C18H18BrCl2N5.C18H19Cl2N5O/c1-21(2)7-10-30(11-8-21)20-17(14-6-9-24-27-14)25-18-16(28-29-19(18)26-20)12-4-3-5-13(22)15(12)23;1-19(2)6-8-27(9-7-19)18-13(10-22)23-16-15(25-26-17(16)24-18)11-4-3-5-12(20)14(11)21;1-11-18(26-9-7-19(2,3)8-10-26)23-17-16(22-11)15(24-25-17)12-5-4-6-13(20)14(12)21;1-18(2)6-8-26(9-7-18)17-15(19)22-14-13(24-25-16(14)23-17)10-4-3-5-11(20)12(10)21;1-18(2)6-8-25(9-7-18)16-17(26)21-14-13(23-24-15(14)22-16)10-4-3-5-11(19)12(10)20/h3-6,9H,7-8,10-11H2,1-2H3,(H,24,27)(H,26,28,29);3-5H,6-9H2,1-2H3,(H,24,25,26);4-6H,7-10H2,1-3H3,(H,23,24,25);3-5H,6-9H2,1-2H3,(H,23,24,25);3-5H,6-9H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyGLFUQNBOEZXKSS-UHFFFAOYSA-N
XLogP25.39
TPSA360.94 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds11
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002081.45
LogP ≤ 525.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine (CID 158289988) is 5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine is CC1(C)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3[nH]c2=O)CC1.CC1(C)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2-c2ccn[nH]2)CC1.CC1(C)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2Br)CC1.CC1(C)CCN(c2nc3n[nH]c(-c4cccc(Cl)c4Cl)c3nc2C#N)CC1.Cc1nc2c(-c3cccc(Cl)c3Cl)[nH]nc2nc1N1CCC(C)(C)CC1.
What is the InChIKey of 5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is GLFUQNBOEZXKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N7.C19H18Cl2N6.C19H21Cl2N5.C18H18BrCl2N5.C18H19Cl2N5O/c1-21(2)7-10-30(11-8-21)20-17(14-6-9-24-27-14)25-18-16(28-29-19(18)26-20)12-4-3-5-13(22)15(12)23;1-19(2)6-8-27(9-7-19)18-13(10-22)23-16-15(25-26-17(16)24-18)11-4-3-5-12(20)14(11)21;1-11-18(26-9-7-19(2,3)8-10-26)23-17-16(22-11)15(24-25-17)12-5-4-6-13(20)14(12)21;1-18(2)6-8-26(9-7-18)17-15(19)22-14-13(24-25-16(14)23-17)10-4-3-5-11(20)12(10)21;1-18(2)6-8-25(9-7-18)16-17(26)21-14-13(23-24-15(14)22-16)10-4-3-5-11(19)12(10)20/h3-6,9H,7-8,10-11H2,1-2H3,(H,24,27)(H,26,28,29);3-5H,6-9H2,1-2H3,(H,24,25,26);4-6H,7-10H2,1-3H3,(H,23,24,25);3-5H,6-9H2,1-2H3,(H,23,24,25);3-5H,6-9H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of 5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine?
5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 2081.45 g/mol, XLogP of 25.39, 11 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,4-dihydropyrazolo[3,4-b]pyrazin-5-one;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-methyl-2H-pyrazolo[3,4-b]pyrazine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine-5-carbonitrile;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-5-(1H-pyrazol-5-yl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 158289988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).