6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine

C37H43FN10 — CID 167568890

About 6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine

6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 167568890) has the molecular formula C37H43FN10 and a molecular weight of 646.82 g/mol. Its IUPAC name is 6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine
• PubChem CID: 167568890
• Molecular Formula: C37H43FN10
• Molecular Weight: 646.82 g/mol
• Exact Mass: 646.37
• IUPAC Name: 6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine
• SMILES: CC1(C)CCN(c2cnc3c(-c4ccccc4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4ccccc4F)[nH]nc3n2)CC1
• InChI: InChI=1S/C19H22FN5.C18H21N5/c1-3-19(2)8-10-25(11-9-19)15-12-21-17-16(23-24-18(17)22-15)13-6-4-5-7-14(13)20;1-18(2)8-10-23(11-9-18)14-12-19-16-15(21-22-17(16)20-14)13-6-4-3-5-7-13/h4-7,12H,3,8-11H2,1-2H3,(H,22,23,24);3-7,12H,8-11H2,1-2H3,(H,20,21,22)
• InChIKey: FQECSMUIYOLEKS-UHFFFAOYSA-N
• XLogP: 7.82
• TPSA: 115.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.82
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine?

The IUPAC name of 6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine (CID 167568890) is 6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine.

What is the SMILES notation for 6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine?

The canonical SMILES for 6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine is CC1(C)CCN(c2cnc3c(-c4ccccc4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4ccccc4F)[nH]nc3n2)CC1.

What is the InChIKey of 6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine?

The InChIKey is FQECSMUIYOLEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5.C18H21N5/c1-3-19(2)8-10-25(11-9-19)15-12-21-17-16(23-24-18(17)22-15)13-6-4-5-7-14(13)20;1-18(2)8-10-23(11-9-18)14-12-19-16-15(21-22-17(16)20-14)13-6-4-3-5-7-13/h4-7,12H,3,8-11H2,1-2H3,(H,22,23,24);3-7,12H,8-11H2,1-2H3,(H,20,21,22).

What are the key properties of 6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine?

6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 646.82 g/mol, XLogP of 7.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,4-dimethylpiperidin-1-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 167568890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).