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

C20H19Cl2FN4O2 — CID 46229945

IUPAC4-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-6,7-dichloro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESNC1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
InChIInChI=1S/C20H19Cl2FN4O2/c21-15-9-17-19(28)25-10-13(27(17)18(15)22)7-11-1-2-16(23)14(8-11)20(29)26-5-3-12(24)4-6-26/h1-2,8-10,12H,3-7,24H2,(H,25,28)
InChIKeyHRUCWUHJVHMCSF-UHFFFAOYSA-N
MW437.30 g/mol
LogP3.23
Rot. Bonds3

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

4-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-6,7-dichloro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 46229945) has the molecular formula C20H19Cl2FN4O2 and a molecular weight of 437.30 g/mol. Its IUPAC name is 4-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-6,7-dichloro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name4-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-6,7-dichloro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID46229945
Molecular FormulaC20H19Cl2FN4O2
Molecular Weight437.30 g/mol
Exact Mass436.09
IUPAC Name4-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-6,7-dichloro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESNC1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1
InChIInChI=1S/C20H19Cl2FN4O2/c21-15-9-17-19(28)25-10-13(27(17)18(15)22)7-11-1-2-16(23)14(8-11)20(29)26-5-3-12(24)4-6-26/h1-2,8-10,12H,3-7,24H2,(H,25,28)
InChIKeyHRUCWUHJVHMCSF-UHFFFAOYSA-N
XLogP3.23
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-6,7-dichloro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 4-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-6,7-dichloro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 46229945) is 4-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-6,7-dichloro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 4-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-6,7-dichloro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 4-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-6,7-dichloro-2H-pyrrolo[1,2-a]pyrazin-1-one is NC1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1.
What is the InChIKey of 4-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-6,7-dichloro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is HRUCWUHJVHMCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN4O2/c21-15-9-17-19(28)25-10-13(27(17)18(15)22)7-11-1-2-16(23)14(8-11)20(29)26-5-3-12(24)4-6-26/h1-2,8-10,12H,3-7,24H2,(H,25,28).
What are the key properties of 4-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-6,7-dichloro-2H-pyrrolo[1,2-a]pyrazin-1-one?
4-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-6,7-dichloro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 437.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-aminopiperidine-1-carbonyl)-4-fluorophenyl]methyl]-6,7-dichloro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 46229945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).