2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide

C20H18ClN3O3 — CID 45110413

IUPAC2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC1CNC(=O)c2cc(-c3cccc(Cl)c3)cn21)NCc1ccco1
InChIInChI=1S/C20H18ClN3O3/c21-15-4-1-3-13(7-15)14-8-18-20(26)23-10-16(24(18)12-14)9-19(25)22-11-17-5-2-6-27-17/h1-8,12,16H,9-11H2,(H,22,25)(H,23,26)
InChIKeyPESUPVJYOACSIR-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.39
Rot. Bonds5

About 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide

2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 45110413) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID45110413
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC1CNC(=O)c2cc(-c3cccc(Cl)c3)cn21)NCc1ccco1
InChIInChI=1S/C20H18ClN3O3/c21-15-4-1-3-13(7-15)14-8-18-20(26)23-10-16(24(18)12-14)9-19(25)22-11-17-5-2-6-27-17/h1-8,12,16H,9-11H2,(H,22,25)(H,23,26)
InChIKeyPESUPVJYOACSIR-UHFFFAOYSA-N
XLogP3.39
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide (CID 45110413) is 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CC1CNC(=O)c2cc(-c3cccc(Cl)c3)cn21)NCc1ccco1.
What is the InChIKey of 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is PESUPVJYOACSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-15-4-1-3-13(7-15)14-8-18-20(26)23-10-16(24(18)12-14)9-19(25)22-11-17-5-2-6-27-17/h1-8,12,16H,9-11H2,(H,22,25)(H,23,26).
What are the key properties of 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide?
2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 383.84 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 45110413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).