2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one

C20H28N4O2S — CID 10215991

About 2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one

2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one (PubChem CID 10215991) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one.

Molecular Properties

• Compound Name: 2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one
• PubChem CID: 10215991
• Molecular Formula: C20H28N4O2S
• Molecular Weight: 388.54 g/mol
• Exact Mass: 388.19
• IUPAC Name: 2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one
• SMILES: COc1ccccc1-c1cn2c(n1)C(CC(C)C)N(C(=O)C(N)CS)CC2
• InChI: InChI=1S/C20H28N4O2S/c1-13(2)10-17-19-22-16(14-6-4-5-7-18(14)26-3)11-23(19)8-9-24(17)20(25)15(21)12-27/h4-7,11,13,15,17,27H,8-10,12,21H2,1-3H3
• InChIKey: CUWMGBKUSQHWPD-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 73.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.54
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one?

The IUPAC name of 2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one (CID 10215991) is 2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one.

What is the SMILES notation for 2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one?

The canonical SMILES for 2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one is COc1ccccc1-c1cn2c(n1)C(CC(C)C)N(C(=O)C(N)CS)CC2.

What is the InChIKey of 2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one?

The InChIKey is CUWMGBKUSQHWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-13(2)10-17-19-22-16(14-6-4-5-7-18(14)26-3)11-23(19)8-9-24(17)20(25)15(21)12-27/h4-7,11,13,15,17,27H,8-10,12,21H2,1-3H3.

What are the key properties of 2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one?

2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one has a molecular weight of 388.54 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one is sourced from PubChem (CID 10215991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).