3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);(4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)-6-[(1R,5S)-1,5,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine

C96H103Cl10N25 — CID 157266074

About 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);(4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)-6-[(1R,5S)-1,5,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine

3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);(4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)-6-[(1R,5S)-1,5,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 157266074) has the molecular formula C96H103Cl10N25 and a molecular weight of 1961.58 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);(4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)-6-[(1R,5S)-1,5,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);(4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)-6-[(1R,5S)-1,5,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine
• PubChem CID: 157266074
• Molecular Formula: C96H103Cl10N25
• Molecular Weight: 1961.58 g/mol
• Exact Mass: 1955.57
• IUPAC Name: 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);(4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)-6-[(1R,5S)-1,5,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine
• SMILES: CC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.CC1[C@]2(C)CN(c3cnc4c(-c5cccc(Cl)c5Cl)[nH]nc4n3)C[C@]12C.CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.C[C@H]1CCCC12CCN(c1cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n1)CC2
• InChI: InChI=1S/C21H23Cl2N5.C19H19Cl2N5.2C19H21Cl2N5.C18H19Cl2N5/c1-13-4-3-7-21(13)8-10-28(11-9-21)16-12-24-19-18(26-27-20(19)25-16)14-5-2-6-15(22)17(14)23;1-10-18(2)8-26(9-19(10,18)3)13-7-22-16-15(24-25-17(16)23-13)11-5-4-6-12(20)14(11)21;2*1-3-19(2)7-9-26(10-8-19)14-11-22-17-16(24-25-18(17)23-14)12-5-4-6-13(20)15(12)21;1-18(2)6-8-25(9-7-18)13-10-21-16-15(23-24-17(16)22-13)11-4-3-5-12(19)14(11)20/h2,5-6,12-13H,3-4,7-11H2,1H3,(H,25,26,27);4-7,10H,8-9H2,1-3H3,(H,23,24,25);2*4-6,11H,3,7-10H2,1-2H3,(H,23,24,25);3-5,10H,6-9H2,1-2H3,(H,22,23,24)/t13-;10?,18-,19+;;;/m0..../s1
• InChIKey: AXZXKSHPPRWHPS-RLCZEUJCSA-N
• XLogP: 26.18
• TPSA: 288.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1961.58
LogP ≤ 5	26.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);(4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)-6-[(1R,5S)-1,5,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine?

The IUPAC name of 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);(4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)-6-[(1R,5S)-1,5,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine (CID 157266074) is 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);(4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)-6-[(1R,5S)-1,5,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine.

What is the SMILES notation for 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);(4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)-6-[(1R,5S)-1,5,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine?

The canonical SMILES for 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);(4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)-6-[(1R,5S)-1,5,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine is CC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.CC1[C@]2(C)CN(c3cnc4c(-c5cccc(Cl)c5Cl)[nH]nc4n3)C[C@]12C.CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.C[C@H]1CCCC12CCN(c1cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n1)CC2.

What is the InChIKey of 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);(4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)-6-[(1R,5S)-1,5,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine?

The InChIKey is AXZXKSHPPRWHPS-RLCZEUJCSA-N. The full InChI is InChI=1S/C21H23Cl2N5.C19H19Cl2N5.2C19H21Cl2N5.C18H19Cl2N5/c1-13-4-3-7-21(13)8-10-28(11-9-21)16-12-24-19-18(26-27-20(19)25-16)14-5-2-6-15(22)17(14)23;1-10-18(2)8-26(9-19(10,18)3)13-7-22-16-15(24-25-17(16)23-13)11-5-4-6-12(20)14(11)21;2*1-3-19(2)7-9-26(10-8-19)14-11-22-17-16(24-25-18(17)23-14)12-5-4-6-13(20)15(12)21;1-18(2)6-8-25(9-7-18)13-10-21-16-15(23-24-17(16)22-13)11-4-3-5-12(19)14(11)20/h2,5-6,12-13H,3-4,7-11H2,1H3,(H,25,26,27);4-7,10H,8-9H2,1-3H3,(H,23,24,25);2*4-6,11H,3,7-10H2,1-2H3,(H,23,24,25);3-5,10H,6-9H2,1-2H3,(H,22,23,24)/t13-;10?,18-,19+;;;/m0..../s1.

What are the key properties of 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);(4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)-6-[(1R,5S)-1,5,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine?

3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);(4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)-6-[(1R,5S)-1,5,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 1961.58 g/mol, XLogP of 26.18, 12 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(3-(2,3-dichlorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine);(4S)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;3-(2,3-dichlorophenyl)-6-[(1R,5S)-1,5,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 157266074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).