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

C25H25Cl2FN4O3 — CID 46230333

IUPAC6,7-dichloro-4-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C25H25Cl2FN4O3/c26-19-13-21-23(33)29-14-17(32(21)22(19)27)11-15-5-6-20(28)18(12-15)25(35)31-9-7-30(8-10-31)24(34)16-3-1-2-4-16/h5-6,12-14,16H,1-4,7-11H2,(H,29,33)
InChIKeyRWGKTDIVOONWAN-UHFFFAOYSA-N
MW519.40 g/mol
LogP4.14
Rot. Bonds4

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

6,7-dichloro-4-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 46230333) has the molecular formula C25H25Cl2FN4O3 and a molecular weight of 519.40 g/mol. Its IUPAC name is 6,7-dichloro-4-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6,7-dichloro-4-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID46230333
Molecular FormulaC25H25Cl2FN4O3
Molecular Weight519.40 g/mol
Exact Mass518.13
IUPAC Name6,7-dichloro-4-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C25H25Cl2FN4O3/c26-19-13-21-23(33)29-14-17(32(21)22(19)27)11-15-5-6-20(28)18(12-15)25(35)31-9-7-30(8-10-31)24(34)16-3-1-2-4-16/h5-6,12-14,16H,1-4,7-11H2,(H,29,33)
InChIKeyRWGKTDIVOONWAN-UHFFFAOYSA-N
XLogP4.14
TPSA77.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.40
LogP ≤ 54.14
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-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6,7-dichloro-4-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 46230333) is 6,7-dichloro-4-[[3-[4-(cyclopentanecarbonyl)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-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6,7-dichloro-4-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 6,7-dichloro-4-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is RWGKTDIVOONWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2FN4O3/c26-19-13-21-23(33)29-14-17(32(21)22(19)27)11-15-5-6-20(28)18(12-15)25(35)31-9-7-30(8-10-31)24(34)16-3-1-2-4-16/h5-6,12-14,16H,1-4,7-11H2,(H,29,33).
What are the key properties of 6,7-dichloro-4-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
6,7-dichloro-4-[[3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 519.40 g/mol, XLogP of 4.14, 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-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 46230333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).