1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxypropyl]imidazolidin-2-one

C25H35N7O3 — CID 155464208

About 1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxypropyl]imidazolidin-2-one

1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxypropyl]imidazolidin-2-one (PubChem CID 155464208) has the molecular formula C25H35N7O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxypropyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
• PubChem CID: 155464208
• Molecular Formula: C25H35N7O3
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.28
• IUPAC Name: 1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
• SMILES: CC(=O)N1CCN(c2ccc(CN3CCN(CC(O)CN4CCn5cccc5C4)C3=O)nc2)CC1
• InChI: InChI=1S/C25H35N7O3/c1-20(33)28-9-11-30(12-10-28)22-5-4-21(26-15-22)16-31-13-14-32(25(31)35)19-24(34)18-27-7-8-29-6-2-3-23(29)17-27/h2-6,15,24,34H,7-14,16-19H2,1H3
• InChIKey: FKARMAHSWMPZEI-UHFFFAOYSA-N
• XLogP: 0.67
• TPSA: 88.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	0.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxypropyl]imidazolidin-2-one?

The IUPAC name of 1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxypropyl]imidazolidin-2-one (CID 155464208) is 1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxypropyl]imidazolidin-2-one.

What is the SMILES notation for 1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxypropyl]imidazolidin-2-one?

The canonical SMILES for 1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxypropyl]imidazolidin-2-one is CC(=O)N1CCN(c2ccc(CN3CCN(CC(O)CN4CCn5cccc5C4)C3=O)nc2)CC1.

What is the InChIKey of 1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxypropyl]imidazolidin-2-one?

The InChIKey is FKARMAHSWMPZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O3/c1-20(33)28-9-11-30(12-10-28)22-5-4-21(26-15-22)16-31-13-14-32(25(31)35)19-24(34)18-27-7-8-29-6-2-3-23(29)17-27/h2-6,15,24,34H,7-14,16-19H2,1H3.

What are the key properties of 1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxypropyl]imidazolidin-2-one?

1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxypropyl]imidazolidin-2-one has a molecular weight of 481.60 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-hydroxypropyl]imidazolidin-2-one is sourced from PubChem (CID 155464208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).