1-[(6R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide

C26H30Cl2N6O — CID 134341443

About 1-[(6R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide

1-[(6R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide (PubChem CID 134341443) has the molecular formula C26H30Cl2N6O and a molecular weight of 513.47 g/mol. Its IUPAC name is 1-[(6R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[(6R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide
• PubChem CID: 134341443
• Molecular Formula: C26H30Cl2N6O
• Molecular Weight: 513.47 g/mol
• Exact Mass: 512.19
• IUPAC Name: 1-[(6R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide
• SMILES: Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(C3=CCC(N4CCCC4C(N)=O)[C@H](C)C3)cnc12
• InChI: InChI=1S/C26H30Cl2N6O/c1-14-11-17(6-9-22(14)33-10-4-5-23(33)25(29)35)21-13-30-24-15(2)32-34(26(24)31-21)16(3)19-8-7-18(27)12-20(19)28/h6-8,12-14,16,22-23H,4-5,9-11H2,1-3H3,(H2,29,35)/t14-,16?,22?,23?/m1/s1
• InChIKey: YEUQCTCTLNDBDP-UVTWLMRZSA-N
• XLogP: 5.18
• TPSA: 89.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.47
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-[(6R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide (CID 134341443) is 1-[(6R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[(6R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-[(6R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide is Cc1nn(C(C)c2ccc(Cl)cc2Cl)c2nc(C3=CCC(N4CCCC4C(N)=O)[C@H](C)C3)cnc12.

What is the InChIKey of 1-[(6R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide?

The InChIKey is YEUQCTCTLNDBDP-UVTWLMRZSA-N. The full InChI is InChI=1S/C26H30Cl2N6O/c1-14-11-17(6-9-22(14)33-10-4-5-23(33)25(29)35)21-13-30-24-15(2)32-34(26(24)31-21)16(3)19-8-7-18(27)12-20(19)28/h6-8,12-14,16,22-23H,4-5,9-11H2,1-3H3,(H2,29,35)/t14-,16?,22?,23?/m1/s1.

What are the key properties of 1-[(6R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide?

1-[(6R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide has a molecular weight of 513.47 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6R)-4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134341443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).