2-[7-(5-chloro-2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide

C20H17ClFN3O3 — CID 72696909

IUPAC2-[7-(5-chloro-2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC1CNC(=O)c2cc(-c3cc(Cl)ccc3F)cn21)NCc1ccco1
InChIInChI=1S/C20H17ClFN3O3/c21-13-3-4-17(22)16(7-13)12-6-18-20(27)24-9-14(25(18)11-12)8-19(26)23-10-15-2-1-5-28-15/h1-7,11,14H,8-10H2,(H,23,26)(H,24,27)
InChIKeyWXUASMCUCJXLCA-UHFFFAOYSA-N
MW401.83 g/mol
LogP3.53
Rot. Bonds5

About 2-[7-(5-chloro-2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide

2-[7-(5-chloro-2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 72696909) has the molecular formula C20H17ClFN3O3 and a molecular weight of 401.83 g/mol. Its IUPAC name is 2-[7-(5-chloro-2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[7-(5-chloro-2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID72696909
Molecular FormulaC20H17ClFN3O3
Molecular Weight401.83 g/mol
Exact Mass401.09
IUPAC Name2-[7-(5-chloro-2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CC1CNC(=O)c2cc(-c3cc(Cl)ccc3F)cn21)NCc1ccco1
InChIInChI=1S/C20H17ClFN3O3/c21-13-3-4-17(22)16(7-13)12-6-18-20(27)24-9-14(25(18)11-12)8-19(26)23-10-15-2-1-5-28-15/h1-7,11,14H,8-10H2,(H,23,26)(H,24,27)
InChIKeyWXUASMCUCJXLCA-UHFFFAOYSA-N
XLogP3.53
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(5-chloro-2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[7-(5-chloro-2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide (CID 72696909) is 2-[7-(5-chloro-2-fluorophenyl)-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-(5-chloro-2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[7-(5-chloro-2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CC1CNC(=O)c2cc(-c3cc(Cl)ccc3F)cn21)NCc1ccco1.
What is the InChIKey of 2-[7-(5-chloro-2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is WXUASMCUCJXLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3/c21-13-3-4-17(22)16(7-13)12-6-18-20(27)24-9-14(25(18)11-12)8-19(26)23-10-15-2-1-5-28-15/h1-7,11,14H,8-10H2,(H,23,26)(H,24,27).
What are the key properties of 2-[7-(5-chloro-2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide?
2-[7-(5-chloro-2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 401.83 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(5-chloro-2-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 72696909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).