1-[1-(2,4-dichlorophenyl)ethyl]-6-(2,5-dimethyl-4-pyrrolidin-1-ylpiperidin-1-yl)-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[3-methyl-4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine

C50H64Cl4N12 — CID 142303163

About 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2,5-dimethyl-4-pyrrolidin-1-ylpiperidin-1-yl)-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[3-methyl-4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine

1-[1-(2,4-dichlorophenyl)ethyl]-6-(2,5-dimethyl-4-pyrrolidin-1-ylpiperidin-1-yl)-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[3-methyl-4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine (PubChem CID 142303163) has the molecular formula C50H64Cl4N12 and a molecular weight of 974.96 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2,5-dimethyl-4-pyrrolidin-1-ylpiperidin-1-yl)-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[3-methyl-4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2,5-dimethyl-4-pyrrolidin-1-ylpiperidin-1-yl)-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[3-methyl-4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine
• PubChem CID: 142303163
• Molecular Formula: C50H64Cl4N12
• Molecular Weight: 974.96 g/mol
• Exact Mass: 972.41
• IUPAC Name: 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2,5-dimethyl-4-pyrrolidin-1-ylpiperidin-1-yl)-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[3-methyl-4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine
• SMILES: Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CC(C)C(N4CCCC4)CC3C)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4C)C(C)C3)cnc12
• InChI: InChI=1S/2C25H32Cl2N6/c1-15-14-31(11-9-22(15)32-10-5-6-16(32)2)23-13-28-24-17(3)30-33(25(24)29-23)18(4)20-8-7-19(26)12-21(20)27;1-15-14-32(16(2)11-22(15)31-9-5-6-10-31)23-13-28-24-17(3)30-33(25(24)29-23)18(4)20-8-7-19(26)12-21(20)27/h2*7-8,12-13,15-16,18,22H,5-6,9-11,14H2,1-4H3
• InChIKey: ICPTWSYMBWFGNK-UHFFFAOYSA-N
• XLogP: 11.50
• TPSA: 100.16 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	974.96
LogP ≤ 5	11.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2,5-dimethyl-4-pyrrolidin-1-ylpiperidin-1-yl)-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[3-methyl-4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine?

The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2,5-dimethyl-4-pyrrolidin-1-ylpiperidin-1-yl)-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[3-methyl-4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine (CID 142303163) is 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2,5-dimethyl-4-pyrrolidin-1-ylpiperidin-1-yl)-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[3-methyl-4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine.

What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2,5-dimethyl-4-pyrrolidin-1-ylpiperidin-1-yl)-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[3-methyl-4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine?

The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2,5-dimethyl-4-pyrrolidin-1-ylpiperidin-1-yl)-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[3-methyl-4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine is Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CC(C)C(N4CCCC4)CC3C)cnc12.Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(N3CCC(N4CCCC4C)C(C)C3)cnc12.

What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2,5-dimethyl-4-pyrrolidin-1-ylpiperidin-1-yl)-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[3-methyl-4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine?

The InChIKey is ICPTWSYMBWFGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H32Cl2N6/c1-15-14-31(11-9-22(15)32-10-5-6-16(32)2)23-13-28-24-17(3)30-33(25(24)29-23)18(4)20-8-7-19(26)12-21(20)27;1-15-14-32(16(2)11-22(15)31-9-5-6-10-31)23-13-28-24-17(3)30-33(25(24)29-23)18(4)20-8-7-19(26)12-21(20)27/h2*7-8,12-13,15-16,18,22H,5-6,9-11,14H2,1-4H3.

What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2,5-dimethyl-4-pyrrolidin-1-ylpiperidin-1-yl)-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[3-methyl-4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine?

1-[1-(2,4-dichlorophenyl)ethyl]-6-(2,5-dimethyl-4-pyrrolidin-1-ylpiperidin-1-yl)-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[3-methyl-4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine has a molecular weight of 974.96 g/mol, XLogP of 11.50, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2,4-dichlorophenyl)ethyl]-6-(2,5-dimethyl-4-pyrrolidin-1-ylpiperidin-1-yl)-3-methylpyrazolo[3,4-b]pyrazine;1-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[3-methyl-4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 142303163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).