cyclopent-3-en-1-yl-[(8R)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C19H29N5O — CID 97471286

About cyclopent-3-en-1-yl-[(8R)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

cyclopent-3-en-1-yl-[(8R)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 97471286) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(8R)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: cyclopent-3-en-1-yl-[(8R)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
• PubChem CID: 97471286
• Molecular Formula: C19H29N5O
• Molecular Weight: 343.48 g/mol
• Exact Mass: 343.24
• IUPAC Name: cyclopent-3-en-1-yl-[(8R)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
• SMILES: C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1C(=O)C1CC=CC1
• InChI: InChI=1S/C19H29N5O/c1-15-18-20-13-17(14-22-9-7-21(2)8-10-22)24(18)12-11-23(15)19(25)16-5-3-4-6-16/h3-4,13,15-16H,5-12,14H2,1-2H3/t15-/m1/s1
• InChIKey: XGWGCKVNYDFZSG-OAHLLOKOSA-N
• XLogP: 1.50
• TPSA: 44.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.48
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[(8R)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?

The IUPAC name of cyclopent-3-en-1-yl-[(8R)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 97471286) is cyclopent-3-en-1-yl-[(8R)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

What is the SMILES notation for cyclopent-3-en-1-yl-[(8R)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?

The canonical SMILES for cyclopent-3-en-1-yl-[(8R)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1C(=O)C1CC=CC1.

What is the InChIKey of cyclopent-3-en-1-yl-[(8R)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?

The InChIKey is XGWGCKVNYDFZSG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N5O/c1-15-18-20-13-17(14-22-9-7-21(2)8-10-22)24(18)12-11-23(15)19(25)16-5-3-4-6-16/h3-4,13,15-16H,5-12,14H2,1-2H3/t15-/m1/s1.

What are the key properties of cyclopent-3-en-1-yl-[(8R)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?

cyclopent-3-en-1-yl-[(8R)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 343.48 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopent-3-en-1-yl-[(8R)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 97471286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).