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

C24H27Cl2FN4O2 — CID 46229947

IUPAC6,7-dichloro-4-[[3-[4-(diethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCCN(CC)C1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
InChIInChI=1S/C24H27Cl2FN4O2/c1-3-29(4-2)16-7-9-30(10-8-16)24(33)18-12-15(5-6-20(18)27)11-17-14-28-23(32)21-13-19(25)22(26)31(17)21/h5-6,12-14,16H,3-4,7-11H2,1-2H3,(H,28,32)
InChIKeyHCAOOPPQWIGYNP-UHFFFAOYSA-N
MW493.41 g/mol
LogP4.61
Rot. Bonds6

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

6,7-dichloro-4-[[3-[4-(diethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 46229947) has the molecular formula C24H27Cl2FN4O2 and a molecular weight of 493.41 g/mol. Its IUPAC name is 6,7-dichloro-4-[[3-[4-(diethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6,7-dichloro-4-[[3-[4-(diethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID46229947
Molecular FormulaC24H27Cl2FN4O2
Molecular Weight493.41 g/mol
Exact Mass492.15
IUPAC Name6,7-dichloro-4-[[3-[4-(diethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCCN(CC)C1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
InChIInChI=1S/C24H27Cl2FN4O2/c1-3-29(4-2)16-7-9-30(10-8-16)24(33)18-12-15(5-6-20(18)27)11-17-14-28-23(32)21-13-19(25)22(26)31(17)21/h5-6,12-14,16H,3-4,7-11H2,1-2H3,(H,28,32)
InChIKeyHCAOOPPQWIGYNP-UHFFFAOYSA-N
XLogP4.61
TPSA60.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.41
LogP ≤ 54.61
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-(diethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6,7-dichloro-4-[[3-[4-(diethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 46229947) is 6,7-dichloro-4-[[3-[4-(diethylamino)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-(diethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6,7-dichloro-4-[[3-[4-(diethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is CCN(CC)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-(diethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is HCAOOPPQWIGYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2FN4O2/c1-3-29(4-2)16-7-9-30(10-8-16)24(33)18-12-15(5-6-20(18)27)11-17-14-28-23(32)21-13-19(25)22(26)31(17)21/h5-6,12-14,16H,3-4,7-11H2,1-2H3,(H,28,32).
What are the key properties of 6,7-dichloro-4-[[3-[4-(diethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
6,7-dichloro-4-[[3-[4-(diethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 493.41 g/mol, XLogP of 4.61, 6 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-(diethylamino)piperidine-1-carbonyl]-4-fluorophenyl]methyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 46229947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).