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

C22H21F2N3O — CID 42798183

IUPACN-benzyl-2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
SMILESO=C(CN1CCn2cccc2C1c1ccc(F)cc1F)NCc1ccccc1
InChIInChI=1S/C22H21F2N3O/c23-17-8-9-18(19(24)13-17)22-20-7-4-10-26(20)11-12-27(22)15-21(28)25-14-16-5-2-1-3-6-16/h1-10,13,22H,11-12,14-15H2,(H,25,28)
InChIKeyGTCCJLONUKOQLR-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.49
Rot. Bonds5

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

N-benzyl-2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide (PubChem CID 42798183) has the molecular formula C22H21F2N3O and a molecular weight of 381.43 g/mol. Its IUPAC name is N-benzyl-2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
PubChem CID42798183
Molecular FormulaC22H21F2N3O
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-benzyl-2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
SMILESO=C(CN1CCn2cccc2C1c1ccc(F)cc1F)NCc1ccccc1
InChIInChI=1S/C22H21F2N3O/c23-17-8-9-18(19(24)13-17)22-20-7-4-10-26(20)11-12-27(22)15-21(28)25-14-16-5-2-1-3-6-16/h1-10,13,22H,11-12,14-15H2,(H,25,28)
InChIKeyGTCCJLONUKOQLR-UHFFFAOYSA-N
XLogP3.49
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 46129443
N-benzyl-1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4201134
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 46405546
(1R)-2-benzyl-1-(2,4-difluorophenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 93232202
(1R)-N-benzyl-1-(2-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 11883482
N-[2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]acetamide
CID 68696123
2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 42798205
N-cyclohexyl-5-[[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
CID 42798324
(1R)-1-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methyl]-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 93232189
1-(4-fluorophenyl)-N-(2-phenylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16812963
1-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylpropan-1-one
CID 4104891
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42812239

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide (CID 42798183) is N-benzyl-2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide is O=C(CN1CCn2cccc2C1c1ccc(F)cc1F)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide?
The InChIKey is GTCCJLONUKOQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O/c23-17-8-9-18(19(24)13-17)22-20-7-4-10-26(20)11-12-27(22)15-21(28)25-14-16-5-2-1-3-6-16/h1-10,13,22H,11-12,14-15H2,(H,25,28).
What are the key properties of N-benzyl-2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide?
N-benzyl-2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide has a molecular weight of 381.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 42798183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).