N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide

C18H22ClN3O3 — CID 24567988

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
SMILESCOc1cc(OC)c(NC(=O)CN2CCn3cccc3C2C)cc1Cl
InChIInChI=1S/C18H22ClN3O3/c1-12-15-5-4-6-21(15)7-8-22(12)11-18(23)20-14-9-13(19)16(24-2)10-17(14)25-3/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,20,23)
InChIKeyZHYVQOYLGFRZSE-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.17
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide (PubChem CID 24567988) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
PubChem CID24567988
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
SMILESCOc1cc(OC)c(NC(=O)CN2CCn3cccc3C2C)cc1Cl
InChIInChI=1S/C18H22ClN3O3/c1-12-15-5-4-6-21(15)7-8-22(12)11-18(23)20-14-9-13(19)16(24-2)10-17(14)25-3/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,20,23)
InChIKeyZHYVQOYLGFRZSE-UHFFFAOYSA-N
XLogP3.17
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 17445310
methyl 4-[[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]benzoate
CID 43013020
N-(5-chloro-2-methoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965013
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
CID 55839490
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 18127266
2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 94180479
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780117
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919693
2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 25494785
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-pentan-3-ylacetamide
CID 18087503
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide (CID 24567988) is N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide is COc1cc(OC)c(NC(=O)CN2CCn3cccc3C2C)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The InChIKey is ZHYVQOYLGFRZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-12-15-5-4-6-21(15)7-8-22(12)11-18(23)20-14-9-13(19)16(24-2)10-17(14)25-3/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,20,23).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide has a molecular weight of 363.85 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide is sourced from PubChem (CID 24567988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).