6,7-dichloro-4-[[3-[4-[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

C26H28Cl2FN5O3 — CID 68688088

About 6,7-dichloro-4-[[3-[4-[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

6,7-dichloro-4-[[3-[4-[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 68688088) has the molecular formula C26H28Cl2FN5O3 and a molecular weight of 548.45 g/mol. Its IUPAC name is 6,7-dichloro-4-[[3-[4-[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

• Compound Name: 6,7-dichloro-4-[[3-[4-[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
• PubChem CID: 68688088
• Molecular Formula: C26H28Cl2FN5O3
• Molecular Weight: 548.45 g/mol
• Exact Mass: 547.16
• IUPAC Name: 6,7-dichloro-4-[[3-[4-[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
• SMILES: CN1CCC[C@]1(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
• InChI: InChI=1S/C26H28Cl2FN5O3/c1-26(6-3-7-31(26)2)25(37)33-10-8-32(9-11-33)24(36)18-13-16(4-5-20(18)29)12-17-15-30-23(35)21-14-19(27)22(28)34(17)21/h4-5,13-15H,3,6-12H2,1-2H3,(H,30,35)/t26-/m1/s1
• InChIKey: HWYUZECZHGTDRT-AREMUKBSSA-N
• XLogP: 3.43
• TPSA: 81.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.45
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-[[3-[4-[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?

The IUPAC name of 6,7-dichloro-4-[[3-[4-[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 68688088) is 6,7-dichloro-4-[[3-[4-[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

What is the SMILES notation for 6,7-dichloro-4-[[3-[4-[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?

The canonical SMILES for 6,7-dichloro-4-[[3-[4-[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is CN1CCC[C@]1(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1.

What is the InChIKey of 6,7-dichloro-4-[[3-[4-[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?

The InChIKey is HWYUZECZHGTDRT-AREMUKBSSA-N. The full InChI is InChI=1S/C26H28Cl2FN5O3/c1-26(6-3-7-31(26)2)25(37)33-10-8-32(9-11-33)24(36)18-13-16(4-5-20(18)29)12-17-15-30-23(35)21-14-19(27)22(28)34(17)21/h4-5,13-15H,3,6-12H2,1-2H3,(H,30,35)/t26-/m1/s1.

What are the key properties of 6,7-dichloro-4-[[3-[4-[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?

6,7-dichloro-4-[[3-[4-[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 548.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dichloro-4-[[3-[4-[(2R)-1,2-dimethylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 68688088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).