1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one

C18H27N5O2 — CID 154854761

IUPAC1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one
SMILESCCC(C)c1cn2c(n1)CN(C(=O)C1CC(=O)N(C3CNC3)C1)CC2
InChIInChI=1S/C18H27N5O2/c1-3-12(2)15-10-21-4-5-22(11-16(21)20-15)18(25)13-6-17(24)23(9-13)14-7-19-8-14/h10,12-14,19H,3-9,11H2,1-2H3
InChIKeyLUWSBQSSZQCWFS-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.56
Rot. Bonds4

About 1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one

1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one (PubChem CID 154854761) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one
PubChem CID154854761
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one
SMILESCCC(C)c1cn2c(n1)CN(C(=O)C1CC(=O)N(C3CNC3)C1)CC2
InChIInChI=1S/C18H27N5O2/c1-3-12(2)15-10-21-4-5-22(11-16(21)20-15)18(25)13-6-17(24)23(9-13)14-7-19-8-14/h10,12-14,19H,3-9,11H2,1-2H3
InChIKeyLUWSBQSSZQCWFS-UHFFFAOYSA-N
XLogP0.56
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one with MolForge

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Related Compounds

4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide
CID 110346149
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CID 95734723
1-cyclopentyl-4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)pyrrolidin-2-one
CID 20866293
1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 167980776
1-cyclopentyl-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 86890881
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
ethyl (3R)-1-[(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93018625
ethyl (3S)-1-[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 9364684
ethyl (3S)-1-[(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93018624
(4R)-1-cyclopentyl-4-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)pyrrolidin-2-one
CID 97119881
6-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 72873270

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one (CID 154854761) is 1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one is CCC(C)c1cn2c(n1)CN(C(=O)C1CC(=O)N(C3CNC3)C1)CC2.
What is the InChIKey of 1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one?
The InChIKey is LUWSBQSSZQCWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-12(2)15-10-21-4-5-22(11-16(21)20-15)18(25)13-6-17(24)23(9-13)14-7-19-8-14/h10,12-14,19H,3-9,11H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one?
1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one has a molecular weight of 345.45 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(2-butan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 154854761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).