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

C25H27Cl2FN4O2 — CID 46230285

IUPAC6,7-dichloro-4-[[3-(4-cyclohexylpiperazine-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(C2CCCCC2)CC1
InChIInChI=1S/C25H27Cl2FN4O2/c26-20-14-22-24(33)29-15-18(32(22)23(20)27)12-16-6-7-21(28)19(13-16)25(34)31-10-8-30(9-11-31)17-4-2-1-3-5-17/h6-7,13-15,17H,1-5,8-12H2,(H,29,33)
InChIKeyZUKBGLCCKRTMPF-UHFFFAOYSA-N
MW505.42 g/mol
LogP4.75
Rot. Bonds4

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

6,7-dichloro-4-[[3-(4-cyclohexylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 46230285) has the molecular formula C25H27Cl2FN4O2 and a molecular weight of 505.42 g/mol. Its IUPAC name is 6,7-dichloro-4-[[3-(4-cyclohexylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6,7-dichloro-4-[[3-(4-cyclohexylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID46230285
Molecular FormulaC25H27Cl2FN4O2
Molecular Weight505.42 g/mol
Exact Mass504.15
IUPAC Name6,7-dichloro-4-[[3-(4-cyclohexylpiperazine-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(C2CCCCC2)CC1
InChIInChI=1S/C25H27Cl2FN4O2/c26-20-14-22-24(33)29-15-18(32(22)23(20)27)12-16-6-7-21(28)19(13-16)25(34)31-10-8-30(9-11-31)17-4-2-1-3-5-17/h6-7,13-15,17H,1-5,8-12H2,(H,29,33)
InChIKeyZUKBGLCCKRTMPF-UHFFFAOYSA-N
XLogP4.75
TPSA60.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.42
LogP ≤ 54.75
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-cyclohexylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6,7-dichloro-4-[[3-(4-cyclohexylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 46230285) is 6,7-dichloro-4-[[3-(4-cyclohexylpiperazine-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-cyclohexylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6,7-dichloro-4-[[3-(4-cyclohexylpiperazine-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(C2CCCCC2)CC1.
What is the InChIKey of 6,7-dichloro-4-[[3-(4-cyclohexylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is ZUKBGLCCKRTMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2FN4O2/c26-20-14-22-24(33)29-15-18(32(22)23(20)27)12-16-6-7-21(28)19(13-16)25(34)31-10-8-30(9-11-31)17-4-2-1-3-5-17/h6-7,13-15,17H,1-5,8-12H2,(H,29,33).
What are the key properties of 6,7-dichloro-4-[[3-(4-cyclohexylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
6,7-dichloro-4-[[3-(4-cyclohexylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 505.42 g/mol, XLogP of 4.75, 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-cyclohexylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 46230285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).