2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

C21H29N3O — CID 18087559

IUPAC2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(C)c1ccc(CCNC(=O)CN2CCn3cccc3C2C)cc1
InChIInChI=1S/C21H29N3O/c1-16(2)19-8-6-18(7-9-19)10-11-22-21(25)15-24-14-13-23-12-4-5-20(23)17(24)3/h4-9,12,16-17H,10-11,13-15H2,1-3H3,(H,22,25)
InChIKeyIOTDBRHKALDMMO-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.35
Rot. Bonds6

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

2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 18087559) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
PubChem CID18087559
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(C)c1ccc(CCNC(=O)CN2CCn3cccc3C2C)cc1
InChIInChI=1S/C21H29N3O/c1-16(2)19-8-6-18(7-9-19)10-11-22-21(25)15-24-14-13-23-12-4-5-20(23)17(24)3/h4-9,12,16-17H,10-11,13-15H2,1-3H3,(H,22,25)
InChIKeyIOTDBRHKALDMMO-UHFFFAOYSA-N
XLogP3.35
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-pentan-3-ylacetamide
CID 18087503
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CID 8581275
N-methyl-1-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]piperidine-4-carboxamide
CID 42542896
2-(4-cyclopentylpiperazin-1-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 34423625
2-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 95297143
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 24567992
2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 146132057
2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8564536
2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39719201
N-[[2-(methoxymethyl)phenyl]methyl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 124506022
2-(3-anilinopyrrolidin-1-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 56500528
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CID 8621771

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (CID 18087559) is 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is CC(C)c1ccc(CCNC(=O)CN2CCn3cccc3C2C)cc1.
What is the InChIKey of 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is IOTDBRHKALDMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-16(2)19-8-6-18(7-9-19)10-11-22-21(25)15-24-14-13-23-12-4-5-20(23)17(24)3/h4-9,12,16-17H,10-11,13-15H2,1-3H3,(H,22,25).
What are the key properties of 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 18087559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).