(E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one

C17H24N4O2 — CID 177230332

IUPAC(E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one
SMILESCC(=O)c1cnc2n1CC(C)N(C(=O)/C=C/C1CCCN1C)C2
InChIInChI=1S/C17H24N4O2/c1-12-10-21-15(13(2)22)9-18-16(21)11-20(12)17(23)7-6-14-5-4-8-19(14)3/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3/b7-6+
InChIKeyUWDOSQIVTHBDHR-VOTSOKGWSA-N
MW316.41 g/mol
LogP1.47
Rot. Bonds3

About (E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one

(E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one (PubChem CID 177230332) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one
PubChem CID177230332
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one
SMILESCC(=O)c1cnc2n1CC(C)N(C(=O)/C=C/C1CCCN1C)C2
InChIInChI=1S/C17H24N4O2/c1-12-10-21-15(13(2)22)9-18-16(21)11-20(12)17(23)7-6-14-5-4-8-19(14)3/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3/b7-6+
InChIKeyUWDOSQIVTHBDHR-VOTSOKGWSA-N
XLogP1.47
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dichlorophenyl)-6-methyl-7-[(E)-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enoyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 177230812
tert-butyl (2R)-2-[(E)-3-[3-[(2,5-dichlorophenyl)carbamoyl]-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxoprop-1-enyl]pyrrolidine-1-carboxylate
CID 177231255
(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-[1-(7-aminoheptyl)pyrrolidin-2-yl]prop-2-en-1-one;1-chloro-2-ethylbenzene
CID 177230279
1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)but-2-yn-1-one
CID 177230595
(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-[ethyl(methyl)amino]but-2-en-1-one
CID 177230371
1-[7-(dimethylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethanone
CID 83883354
1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone
CID 84656552
(E)-1-(3-acetyl-5-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-morpholin-4-ylpent-2-en-1-one
CID 177230485
2-(methylamino)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)ethanone
CID 96615896
(E)-4-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]hex-1-en-3-one
CID 137471242
1-(2,4-dimethylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)prop-2-en-1-one
CID 71877104
(E)-1-(3-acetyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-[[2-cyclobutylidene-2-[(2-methylpropan-2-yl)oxy]ethyl]-methylamino]but-2-en-1-one
CID 177231954

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one (CID 177230332) is (E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one is CC(=O)c1cnc2n1CC(C)N(C(=O)/C=C/C1CCCN1C)C2.
What is the InChIKey of (E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one?
The InChIKey is UWDOSQIVTHBDHR-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-10-21-15(13(2)22)9-18-16(21)11-20(12)17(23)7-6-14-5-4-8-19(14)3/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3/b7-6+.
What are the key properties of (E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one?
(E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one has a molecular weight of 316.41 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-acetyl-6-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(1-methylpyrrolidin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 177230332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).