5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide

C23H27N3O2 — CID 42812524

IUPAC5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(CN2CCn3cccc3C2c2cccc(C)c2)o1
InChIInChI=1S/C23H27N3O2/c1-3-11-24-23(27)21-10-9-19(28-21)16-26-14-13-25-12-5-8-20(25)22(26)18-7-4-6-17(2)15-18/h4-10,12,15,22H,3,11,13-14,16H2,1-2H3,(H,24,27)
InChIKeyLDTIQZICIGQBLG-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.13
Rot. Bonds6

About 5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide

5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide (PubChem CID 42812524) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide
PubChem CID42812524
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(CN2CCn3cccc3C2c2cccc(C)c2)o1
InChIInChI=1S/C23H27N3O2/c1-3-11-24-23(27)21-10-9-19(28-21)16-26-14-13-25-12-5-8-20(25)22(26)18-7-4-6-17(2)15-18/h4-10,12,15,22H,3,11,13-14,16H2,1-2H3,(H,24,27)
InChIKeyLDTIQZICIGQBLG-UHFFFAOYSA-N
XLogP4.13
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-5-[[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
CID 42798273
5-[[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxylic acid
CID 42779321
N-(2-methoxyethyl)-2-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 42812277
N-butan-2-yl-5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
CID 42798215
5-[[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 42798237
N-cyclohexyl-5-[[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]furan-2-carboxamide
CID 42798324
5-[[2-(cyclopentanecarbonyl)-1-(3-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide
CID 46059014
3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide
CID 24711887
N-(2-methoxyethyl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 42669684
2-[(3,5-dimethoxyphenyl)methyl]-1-(3-methylphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 46032768
5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide
CID 42850909
(4R)-4-(3-methylphenyl)-N-propyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide
CID 92748537

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide?
The IUPAC name of 5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide (CID 42812524) is 5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide.
What is the SMILES notation for 5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide?
The canonical SMILES for 5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide is CCCNC(=O)c1ccc(CN2CCn3cccc3C2c2cccc(C)c2)o1.
What is the InChIKey of 5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide?
The InChIKey is LDTIQZICIGQBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-11-24-23(27)21-10-9-19(28-21)16-26-14-13-25-12-5-8-20(25)22(26)18-7-4-6-17(2)15-18/h4-10,12,15,22H,3,11,13-14,16H2,1-2H3,(H,24,27).
What are the key properties of 5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide?
5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 42812524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).