2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]acetamide

C22H24FN3O2 — CID 142170530

IUPAC2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]acetamide
SMILESC=Cc1c(CC(N)=O)c2c(OCCC)nc(C)cn2c1Cc1ccc(F)cc1
InChIInChI=1S/C22H24FN3O2/c1-4-10-28-22-21-18(12-20(24)27)17(5-2)19(26(21)13-14(3)25-22)11-15-6-8-16(23)9-7-15/h5-9,13H,2,4,10-12H2,1,3H3,(H2,24,27)
InChIKeyOGTSJTIQOOLZHR-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.83
Rot. Bonds8

About 2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]acetamide

2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]acetamide (PubChem CID 142170530) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]acetamide.

Molecular Properties

Compound Name2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]acetamide
PubChem CID142170530
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]acetamide
SMILESC=Cc1c(CC(N)=O)c2c(OCCC)nc(C)cn2c1Cc1ccc(F)cc1
InChIInChI=1S/C22H24FN3O2/c1-4-10-28-22-21-18(12-20(24)27)17(5-2)19(26(21)13-14(3)25-22)11-15-6-8-16(23)9-7-15/h5-9,13H,2,4,10-12H2,1,3H3,(H2,24,27)
InChIKeyOGTSJTIQOOLZHR-UHFFFAOYSA-N
XLogP3.83
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]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

2-[8-carbamoyl-7-ethyl-3-methyl-6-[(4-phenylphenyl)methyl]pyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid
CID 10160635
2-(6-benzyl-3-methyl-8-oxaldehydoyl-7-propylpyrrolo[1,2-a]pyrazin-1-yl)oxyacetic acid
CID 142104503
2-(6,7-dibenzyl-3-methyl-8-oxamoylpyrrolo[1,2-a]pyrazin-1-yl)oxyacetic acid
CID 10139239
2-[6-[(2-cyclopentylphenyl)methyl]-7-ethyl-8-formyl-3-methylpyrrolo[1,2-a]pyrazin-1-yl]oxyacetic acid
CID 89324473
ethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate
CID 102172176
4-amino-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyrazin-3-yl]-4-methylhexan-1-one
CID 157174963
ethyl (2S)-2-[(4-fluorophenyl)methyl]pent-4-enoate
CID 125467960
dimethyl 1-[(4-fluorophenyl)methyl]-4-(4-propoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2172335
5-[(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94937033
ethyl 4-[(4-fluorophenyl)methyl]benzoate
CID 71541120
2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47183801
6-methyl-2-propoxypyridin-3-ol
CID 125426355

Frequently Asked Questions

What is the IUPAC name of 2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]acetamide?
The IUPAC name of 2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]acetamide (CID 142170530) is 2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]acetamide.
What is the SMILES notation for 2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]acetamide?
The canonical SMILES for 2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]acetamide is C=Cc1c(CC(N)=O)c2c(OCCC)nc(C)cn2c1Cc1ccc(F)cc1.
What is the InChIKey of 2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]acetamide?
The InChIKey is OGTSJTIQOOLZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-4-10-28-22-21-18(12-20(24)27)17(5-2)19(26(21)13-14(3)25-22)11-15-6-8-16(23)9-7-15/h5-9,13H,2,4,10-12H2,1,3H3,(H2,24,27).
What are the key properties of 2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]acetamide?
2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]acetamide has a molecular weight of 381.45 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-ethenyl-6-[(4-fluorophenyl)methyl]-3-methyl-1-propoxypyrrolo[1,2-a]pyrazin-8-yl]acetamide is sourced from PubChem (CID 142170530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).