2,5-dihydropyrrol-1-yl-[(8R)-8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone

C18H26N4O2 — CID 124910636

IUPAC2,5-dihydropyrrol-1-yl-[(8R)-8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone
SMILESC[C@@H]1c2nc(C(=O)N3CC=CC3)cn2CCN1CC1CCOCC1
InChIInChI=1S/C18H26N4O2/c1-14-17-19-16(18(23)20-6-2-3-7-20)13-22(17)9-8-21(14)12-15-4-10-24-11-5-15/h2-3,13-15H,4-12H2,1H3/t14-/m1/s1
InChIKeyVPKMQUAXEYGUHL-CQSZACIVSA-N
MW330.43 g/mol
LogP1.70
Rot. Bonds3

About 2,5-dihydropyrrol-1-yl-[(8R)-8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone

2,5-dihydropyrrol-1-yl-[(8R)-8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 124910636) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2,5-dihydropyrrol-1-yl-[(8R)-8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name2,5-dihydropyrrol-1-yl-[(8R)-8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone
PubChem CID124910636
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2,5-dihydropyrrol-1-yl-[(8R)-8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone
SMILESC[C@@H]1c2nc(C(=O)N3CC=CC3)cn2CCN1CC1CCOCC1
InChIInChI=1S/C18H26N4O2/c1-14-17-19-16(18(23)20-6-2-3-7-20)13-22(17)9-8-21(14)12-15-4-10-24-11-5-15/h2-3,13-15H,4-12H2,1H3/t14-/m1/s1
InChIKeyVPKMQUAXEYGUHL-CQSZACIVSA-N
XLogP1.70
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 131654486
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
7-(cyclohexylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 131639707
[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
[7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 133137277
2-[7-(cyclohexylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylacetamide
CID 133142390
(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
[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-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone
CID 131650941
(8R)-N-cyclopentyl-8-methyl-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124910315
(8R)-7-(furan-3-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124809786
(8S)-7-(furan-3-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124809787

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyrrol-1-yl-[(8R)-8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of 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) is 2,5-dihydropyrrol-1-yl-[(8R)-8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for 2,5-dihydropyrrol-1-yl-[(8R)-8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for 2,5-dihydropyrrol-1-yl-[(8R)-8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone is C[C@@H]1c2nc(C(=O)N3CC=CC3)cn2CCN1CC1CCOCC1.
What is the InChIKey of 2,5-dihydropyrrol-1-yl-[(8R)-8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is VPKMQUAXEYGUHL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14-17-19-16(18(23)20-6-2-3-7-20)13-22(17)9-8-21(14)12-15-4-10-24-11-5-15/h2-3,13-15H,4-12H2,1H3/t14-/m1/s1.
What are the key properties of 2,5-dihydropyrrol-1-yl-[(8R)-8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone?
2,5-dihydropyrrol-1-yl-[(8R)-8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyrrol-1-yl-[(8R)-8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 124910636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).