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

C22H23Cl2FN4O2 — CID 46229946

IUPAC6,7-dichloro-4-[[3-[4-(dimethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCN(C)C1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
InChIInChI=1S/C22H23Cl2FN4O2/c1-27(2)14-5-7-28(8-6-14)22(31)16-10-13(3-4-18(16)25)9-15-12-26-21(30)19-11-17(23)20(24)29(15)19/h3-4,10-12,14H,5-9H2,1-2H3,(H,26,30)
InChIKeyLGYROJGFXLLJDY-UHFFFAOYSA-N
MW465.36 g/mol
LogP3.83
Rot. Bonds4

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

6,7-dichloro-4-[[3-[4-(dimethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 46229946) has the molecular formula C22H23Cl2FN4O2 and a molecular weight of 465.36 g/mol. Its IUPAC name is 6,7-dichloro-4-[[3-[4-(dimethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6,7-dichloro-4-[[3-[4-(dimethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID46229946
Molecular FormulaC22H23Cl2FN4O2
Molecular Weight465.36 g/mol
Exact Mass464.12
IUPAC Name6,7-dichloro-4-[[3-[4-(dimethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCN(C)C1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
InChIInChI=1S/C22H23Cl2FN4O2/c1-27(2)14-5-7-28(8-6-14)22(31)16-10-13(3-4-18(16)25)9-15-12-26-21(30)19-11-17(23)20(24)29(15)19/h3-4,10-12,14H,5-9H2,1-2H3,(H,26,30)
InChIKeyLGYROJGFXLLJDY-UHFFFAOYSA-N
XLogP3.83
TPSA60.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-[[3-[4-(dimethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6,7-dichloro-4-[[3-[4-(dimethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 46229946) is 6,7-dichloro-4-[[3-[4-(dimethylamino)piperidine-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-(dimethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6,7-dichloro-4-[[3-[4-(dimethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is CN(C)C1CCN(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-(dimethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is LGYROJGFXLLJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2FN4O2/c1-27(2)14-5-7-28(8-6-14)22(31)16-10-13(3-4-18(16)25)9-15-12-26-21(30)19-11-17(23)20(24)29(15)19/h3-4,10-12,14H,5-9H2,1-2H3,(H,26,30).
What are the key properties of 6,7-dichloro-4-[[3-[4-(dimethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
6,7-dichloro-4-[[3-[4-(dimethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 465.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-[[3-[4-(dimethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 46229946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).