N-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide

C17H17F2N3O2 — CID 68696123

IUPACN-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCn2cccc2C1c1ccc(F)cc1F
InChIInChI=1S/C17H17F2N3O2/c1-11(23)20-10-16(24)22-8-7-21-6-2-3-15(21)17(22)13-5-4-12(18)9-14(13)19/h2-6,9,17H,7-8,10H2,1H3,(H,20,23)
InChIKeyDSVIRYOGLXKKGS-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.83
Rot. Bonds3

About N-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide

N-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide (PubChem CID 68696123) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide
PubChem CID68696123
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCn2cccc2C1c1ccc(F)cc1F
InChIInChI=1S/C17H17F2N3O2/c1-11(23)20-10-16(24)22-8-7-21-6-2-3-15(21)17(22)13-5-4-12(18)9-14(13)19/h2-6,9,17H,7-8,10H2,1H3,(H,20,23)
InChIKeyDSVIRYOGLXKKGS-UHFFFAOYSA-N
XLogP1.83
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide (CID 68696123) is N-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCn2cccc2C1c1ccc(F)cc1F.
What is the InChIKey of N-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide?
The InChIKey is DSVIRYOGLXKKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-11(23)20-10-16(24)22-8-7-21-6-2-3-15(21)17(22)13-5-4-12(18)9-14(13)19/h2-6,9,17H,7-8,10H2,1H3,(H,20,23).
What are the key properties of N-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide?
N-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide has a molecular weight of 333.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 68696123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).