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

C25H20Cl2F2N4O2 — CID 46229848

IUPAC6,7-dichloro-4-[[4-fluoro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C25H20Cl2F2N4O2/c26-18-13-22-24(34)30-14-16(33(22)23(18)27)11-15-5-6-19(28)17(12-15)25(35)32-9-7-31(8-10-32)21-4-2-1-3-20(21)29/h1-6,12-14H,7-11H2,(H,30,34)
InChIKeyVNSWIQZZOHDMAU-UHFFFAOYSA-N
MW517.36 g/mol
LogP4.77
Rot. Bonds4

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

6,7-dichloro-4-[[4-fluoro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 46229848) has the molecular formula C25H20Cl2F2N4O2 and a molecular weight of 517.36 g/mol. Its IUPAC name is 6,7-dichloro-4-[[4-fluoro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6,7-dichloro-4-[[4-fluoro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID46229848
Molecular FormulaC25H20Cl2F2N4O2
Molecular Weight517.36 g/mol
Exact Mass516.09
IUPAC Name6,7-dichloro-4-[[4-fluoro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C25H20Cl2F2N4O2/c26-18-13-22-24(34)30-14-16(33(22)23(18)27)11-15-5-6-19(28)17(12-15)25(35)32-9-7-31(8-10-32)21-4-2-1-3-20(21)29/h1-6,12-14H,7-11H2,(H,30,34)
InChIKeyVNSWIQZZOHDMAU-UHFFFAOYSA-N
XLogP4.77
TPSA60.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.36
LogP ≤ 54.77
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-[[4-fluoro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6,7-dichloro-4-[[4-fluoro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 46229848) is 6,7-dichloro-4-[[4-fluoro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6,7-dichloro-4-[[4-fluoro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6,7-dichloro-4-[[4-fluoro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 6,7-dichloro-4-[[4-fluoro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is VNSWIQZZOHDMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2F2N4O2/c26-18-13-22-24(34)30-14-16(33(22)23(18)27)11-15-5-6-19(28)17(12-15)25(35)32-9-7-31(8-10-32)21-4-2-1-3-20(21)29/h1-6,12-14H,7-11H2,(H,30,34).
What are the key properties of 6,7-dichloro-4-[[4-fluoro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
6,7-dichloro-4-[[4-fluoro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 517.36 g/mol, XLogP of 4.77, 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-[[4-fluoro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 46229848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).