1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone

C23H24N4O3 — CID 131694246

IUPAC1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone
SMILESCc1c(C(=O)N2CCn3cc(CC(=O)N4CC=CC4)nc3C2C)oc2ccccc12
InChIInChI=1S/C23H24N4O3/c1-15-18-7-3-4-8-19(18)30-21(15)23(29)27-12-11-26-14-17(24-22(26)16(27)2)13-20(28)25-9-5-6-10-25/h3-8,14,16H,9-13H2,1-2H3
InChIKeyFJZIYPWANXCYTN-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.10
Rot. Bonds3

About 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone

1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone (PubChem CID 131694246) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone
PubChem CID131694246
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone
SMILESCc1c(C(=O)N2CCn3cc(CC(=O)N4CC=CC4)nc3C2C)oc2ccccc12
InChIInChI=1S/C23H24N4O3/c1-15-18-7-3-4-8-19(18)30-21(15)23(29)27-12-11-26-14-17(24-22(26)16(27)2)13-20(28)25-9-5-6-10-25/h3-8,14,16H,9-13H2,1-2H3
InChIKeyFJZIYPWANXCYTN-UHFFFAOYSA-N
XLogP3.10
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.10
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

1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 154870837
1,4-diazabicyclo[3.2.2]nonan-4-yl-(3-methyl-1-benzofuran-2-yl)methanone
CID 68596839
1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone
CID 133140388
4-methyl-1-[8-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pentan-1-one
CID 131694314
N-(cyclopropylmethyl)-2-[7-(1H-indole-3-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide
CID 131694015
[2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 119469689
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
(3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 99777498
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224
[3-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 119487178
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone?
The IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone (CID 131694246) is 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone.
What is the SMILES notation for 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone?
The canonical SMILES for 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone is Cc1c(C(=O)N2CCn3cc(CC(=O)N4CC=CC4)nc3C2C)oc2ccccc12.
What is the InChIKey of 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone?
The InChIKey is FJZIYPWANXCYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-18-7-3-4-8-19(18)30-21(15)23(29)27-12-11-26-14-17(24-22(26)16(27)2)13-20(28)25-9-5-6-10-25/h3-8,14,16H,9-13H2,1-2H3.
What are the key properties of 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone?
1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone has a molecular weight of 404.47 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-(3-methyl-1-benzofuran-2-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone is sourced from PubChem (CID 131694246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).