2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide

C22H20Cl2FN3O — CID 46129443

IUPAC2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCn2cccc2C1c1ccc(Cl)c(Cl)c1)NCc1ccc(F)cc1
InChIInChI=1S/C22H20Cl2FN3O/c23-18-8-5-16(12-19(18)24)22-20-2-1-9-27(20)10-11-28(22)14-21(29)26-13-15-3-6-17(25)7-4-15/h1-9,12,22H,10-11,13-14H2,(H,26,29)
InChIKeyNAWFGYMMGZYZHL-UHFFFAOYSA-N
MW432.33 g/mol
LogP4.66
Rot. Bonds5

About 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 46129443) has the molecular formula C22H20Cl2FN3O and a molecular weight of 432.33 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID46129443
Molecular FormulaC22H20Cl2FN3O
Molecular Weight432.33 g/mol
Exact Mass431.10
IUPAC Name2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CN1CCn2cccc2C1c1ccc(Cl)c(Cl)c1)NCc1ccc(F)cc1
InChIInChI=1S/C22H20Cl2FN3O/c23-18-8-5-16(12-19(18)24)22-20-2-1-9-27(20)10-11-28(22)14-21(29)26-13-15-3-6-17(25)7-4-15/h1-9,12,22H,10-11,13-14H2,(H,26,29)
InChIKeyNAWFGYMMGZYZHL-UHFFFAOYSA-N
XLogP4.66
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.33
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 42798183
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
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 46405546
[(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone
CID 93304342
N-benzyl-1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4201134
1-(3,4-dichlorophenyl)-N-phenyl-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 42741062
1-(4-fluorophenyl)-N-(2-phenylethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16812963
N-(2-methoxyethyl)-2-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 42812277
2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 22510045
N-(2-methoxyethyl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 42669684
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40603897
N-[(4-fluorophenyl)methyl]-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456048

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 46129443) is 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(CN1CCn2cccc2C1c1ccc(Cl)c(Cl)c1)NCc1ccc(F)cc1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is NAWFGYMMGZYZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2FN3O/c23-18-8-5-16(12-19(18)24)22-20-2-1-9-27(20)10-11-28(22)14-21(29)26-13-15-3-6-17(25)7-4-15/h1-9,12,22H,10-11,13-14H2,(H,26,29).
What are the key properties of 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 432.33 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 46129443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).