[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone

C18H26N4O — CID 131654486

IUPAC[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone
SMILESCC1c2nc(C(=O)N3CC=CC3)cn2CCN1CC1CCCC1
InChIInChI=1S/C18H26N4O/c1-14-17-19-16(18(23)20-8-4-5-9-20)13-22(17)11-10-21(14)12-15-6-2-3-7-15/h4-5,13-15H,2-3,6-12H2,1H3
InChIKeyDFSXMMCLLUZOIE-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.46
Rot. Bonds3

About [7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone

[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone (PubChem CID 131654486) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is [7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone
PubChem CID131654486
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone
SMILESCC1c2nc(C(=O)N3CC=CC3)cn2CCN1CC1CCCC1
InChIInChI=1S/C18H26N4O/c1-14-17-19-16(18(23)20-8-4-5-9-20)13-22(17)11-10-21(14)12-15-6-2-3-7-15/h4-5,13-15H,2-3,6-12H2,1H3
InChIKeyDFSXMMCLLUZOIE-UHFFFAOYSA-N
XLogP2.46
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5-dihydropyrrol-1-yl-[(8R)-8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone
CID 124910636
7-(cyclohexylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131639707
2,5-dihydropyrrol-1-yl-(8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)methanone
CID 133145060
2-[7-(cyclohexylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylacetamide
CID 133142390
2-[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone
CID 131650941
[7-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 131648469
2-[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 133143017
[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 133137442
(3,3-difluoroazetidin-1-yl)-[8-methyl-7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone
CID 133142251
2-[(8R)-7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 124910184
(8S)-7-(furan-3-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124809787
(8R)-N-cyclopentyl-8-methyl-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124910315

Frequently Asked Questions

What is the IUPAC name of [7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of [7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone (CID 131654486) is [7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for [7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for [7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone is CC1c2nc(C(=O)N3CC=CC3)cn2CCN1CC1CCCC1.
What is the InChIKey of [7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is DFSXMMCLLUZOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-17-19-16(18(23)20-8-4-5-9-20)13-22(17)11-10-21(14)12-15-6-2-3-7-15/h4-5,13-15H,2-3,6-12H2,1H3.
What are the key properties of [7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone?
[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 314.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 131654486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).