(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

C18H26N4O3 — CID 177230485

IUPAC(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
SMILESCC(=O)c1cnc2n1C(C)CN(C(=O)/C=C/C(C)N1CCOCC1)C2
InChIInChI=1S/C18H26N4O3/c1-13(20-6-8-25-9-7-20)4-5-18(24)21-11-14(2)22-16(15(3)23)10-19-17(22)12-21/h4-5,10,13-14H,6-9,11-12H2,1-3H3/b5-4+
InChIKeyGHSGQTNGGHLSFY-SNAWJCMRSA-N
MW346.43 g/mol
LogP1.27
Rot. Bonds4

About (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

(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 (PubChem CID 177230485) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID177230485
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(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
SMILESCC(=O)c1cnc2n1C(C)CN(C(=O)/C=C/C(C)N1CCOCC1)C2
InChIInChI=1S/C18H26N4O3/c1-13(20-6-8-25-9-7-20)4-5-18(24)21-11-14(2)22-16(15(3)23)10-19-17(22)12-21/h4-5,10,13-14H,6-9,11-12H2,1-3H3/b5-4+
InChIKeyGHSGQTNGGHLSFY-SNAWJCMRSA-N
XLogP1.27
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(=O)c1cnc2n1C(C)CN(C(=O)/C=C/C(C)N1CCOCC1)C2.
What is the InChIKey of (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?
The InChIKey is GHSGQTNGGHLSFY-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13(20-6-8-25-9-7-20)4-5-18(24)21-11-14(2)22-16(15(3)23)10-19-17(22)12-21/h4-5,10,13-14H,6-9,11-12H2,1-3H3/b5-4+.
What are the key properties of (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?
(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 has a molecular weight of 346.43 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 177230485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).