3-(2-chlorophenyl)-6-(3-ethylpyrrolidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyrazine

C106H121Cl3N34O — CID 158494063

About 3-(2-chlorophenyl)-6-(3-ethylpyrrolidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyrazine

3-(2-chlorophenyl)-6-(3-ethylpyrrolidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 158494063) has the molecular formula C106H121Cl3N34O and a molecular weight of 1993.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-(3-ethylpyrrolidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-6-(3-ethylpyrrolidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyrazine
• PubChem CID: 158494063
• Molecular Formula: C106H121Cl3N34O
• Molecular Weight: 1993.73 g/mol
• Exact Mass: 1990.95
• IUPAC Name: 3-(2-chlorophenyl)-6-(3-ethylpyrrolidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyrazine
• SMILES: CC1[C@H]2CN(c3cnc4c(-c5cccc(Cl)c5)[nH]nc4n3)C[C@@H]12.CCC1(C)CCN(c2cnc3c(-c4ccccn4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccnc4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cnccc4Cl)[nH]nc3n2)CC1.CCC1CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)C1.COc1ccc(-c2[nH]nc3nc(N4CCC(C)(C)CC4)cnc23)cn1
• InChI: InChI=1S/C18H21ClN6.C18H22N6O.2C18H22N6.C17H16ClN5.C17H18ClN5/c1-3-18(2)5-8-25(9-6-18)14-11-21-16-15(23-24-17(16)22-14)12-10-20-7-4-13(12)19;1-18(2)6-8-24(9-7-18)13-11-20-16-15(22-23-17(16)21-13)12-4-5-14(25-3)19-10-12;1-3-18(2)6-9-24(10-7-18)14-12-20-16-15(22-23-17(16)21-14)13-5-4-8-19-11-13;1-3-18(2)7-10-24(11-8-18)14-12-20-16-15(22-23-17(16)21-14)13-6-4-5-9-19-13;1-9-12-7-23(8-13(9)12)14-6-19-16-15(21-22-17(16)20-14)10-3-2-4-11(18)5-10;1-2-11-7-8-23(10-11)14-9-19-16-15(21-22-17(16)20-14)12-5-3-4-6-13(12)18/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,22,23,24);4-5,10-11H,6-9H2,1-3H3,(H,21,22,23);4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,21,22,23);4-6,9,12H,3,7-8,10-11H2,1-2H3,(H,21,22,23);2-6,9,12-13H,7-8H2,1H3,(H,20,21,22);3-6,9,11H,2,7-8,10H2,1H3,(H,20,21,22)/t;;;;9?,12-,13+
• InChIKey: HJBFEEUWWAEJOL-WXYJKUFHSA-N
• XLogP: 21.28
• TPSA: 406.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1993.73
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-(3-ethylpyrrolidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyrazine?

The IUPAC name of 3-(2-chlorophenyl)-6-(3-ethylpyrrolidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyrazine (CID 158494063) is 3-(2-chlorophenyl)-6-(3-ethylpyrrolidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyrazine.

What is the SMILES notation for 3-(2-chlorophenyl)-6-(3-ethylpyrrolidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyrazine?

The canonical SMILES for 3-(2-chlorophenyl)-6-(3-ethylpyrrolidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyrazine is CC1[C@H]2CN(c3cnc4c(-c5cccc(Cl)c5)[nH]nc4n3)C[C@@H]12.CCC1(C)CCN(c2cnc3c(-c4ccccn4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccnc4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cnccc4Cl)[nH]nc3n2)CC1.CCC1CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)C1.COc1ccc(-c2[nH]nc3nc(N4CCC(C)(C)CC4)cnc23)cn1.

What is the InChIKey of 3-(2-chlorophenyl)-6-(3-ethylpyrrolidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyrazine?

The InChIKey is HJBFEEUWWAEJOL-WXYJKUFHSA-N. The full InChI is InChI=1S/C18H21ClN6.C18H22N6O.2C18H22N6.C17H16ClN5.C17H18ClN5/c1-3-18(2)5-8-25(9-6-18)14-11-21-16-15(23-24-17(16)22-14)12-10-20-7-4-13(12)19;1-18(2)6-8-24(9-7-18)13-11-20-16-15(22-23-17(16)21-13)12-4-5-14(25-3)19-10-12;1-3-18(2)6-9-24(10-7-18)14-12-20-16-15(22-23-17(16)21-14)13-5-4-8-19-11-13;1-3-18(2)7-10-24(11-8-18)14-12-20-16-15(22-23-17(16)21-14)13-6-4-5-9-19-13;1-9-12-7-23(8-13(9)12)14-6-19-16-15(21-22-17(16)20-14)10-3-2-4-11(18)5-10;1-2-11-7-8-23(10-11)14-9-19-16-15(21-22-17(16)20-14)12-5-3-4-6-13(12)18/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,22,23,24);4-5,10-11H,6-9H2,1-3H3,(H,21,22,23);4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,21,22,23);4-6,9,12H,3,7-8,10-11H2,1-2H3,(H,21,22,23);2-6,9,12-13H,7-8H2,1H3,(H,20,21,22);3-6,9,11H,2,7-8,10H2,1H3,(H,20,21,22)/t;;;;9?,12-,13+;.

What are the key properties of 3-(2-chlorophenyl)-6-(3-ethylpyrrolidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyrazine?

3-(2-chlorophenyl)-6-(3-ethylpyrrolidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 1993.73 g/mol, XLogP of 21.28, 17 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-6-(3-ethylpyrrolidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(3-chlorophenyl)-6-[(1R,5S)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(4-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4,4-dimethylpiperidin-1-yl)-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-2-yl-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 158494063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).