2-benzyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

C23H24N6O2 — CID 91909193

IUPAC2-benzyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESO=C(C1Cn2cccc2C(=O)N1Cc1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H24N6O2/c30-21(26-12-14-27(15-13-26)23-24-9-5-10-25-23)20-17-28-11-4-8-19(28)22(31)29(20)16-18-6-2-1-3-7-18/h1-11,20H,12-17H2
InChIKeyIEMKGEHJNCYNAW-UHFFFAOYSA-N
MW416.49 g/mol
LogP1.65
Rot. Bonds4

About 2-benzyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

2-benzyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 91909193) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-benzyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-benzyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID91909193
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-benzyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
SMILESO=C(C1Cn2cccc2C(=O)N1Cc1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H24N6O2/c30-21(26-12-14-27(15-13-26)23-24-9-5-10-25-23)20-17-28-11-4-8-19(28)22(31)29(20)16-18-6-2-1-3-7-18/h1-11,20H,12-17H2
InChIKeyIEMKGEHJNCYNAW-UHFFFAOYSA-N
XLogP1.65
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 2-benzyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one (CID 91909193) is 2-benzyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-benzyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-benzyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is O=C(C1Cn2cccc2C(=O)N1Cc1ccccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-benzyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is IEMKGEHJNCYNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c30-21(26-12-14-27(15-13-26)23-24-9-5-10-25-23)20-17-28-11-4-8-19(28)22(31)29(20)16-18-6-2-1-3-7-18/h1-11,20H,12-17H2.
What are the key properties of 2-benzyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one?
2-benzyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 416.49 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 91909193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).