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

C26H32N4O2S — CID 10195380

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

2-amino-1-[8-butan-2-yl-2-(2-phenylmethoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one (PubChem CID 10195380) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is 2-amino-1-[8-butan-2-yl-2-(2-phenylmethoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one.

Molecular Properties

• Compound Name: 2-amino-1-[8-butan-2-yl-2-(2-phenylmethoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one
• PubChem CID: 10195380
• Molecular Formula: C26H32N4O2S
• Molecular Weight: 464.64 g/mol
• Exact Mass: 464.22
• IUPAC Name: 2-amino-1-[8-butan-2-yl-2-(2-phenylmethoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one
• SMILES: CCC(C)C1c2nc(-c3ccccc3OCc3ccccc3)cn2CCN1C(=O)C(N)CS
• InChI: InChI=1S/C26H32N4O2S/c1-3-18(2)24-25-28-22(15-29(25)13-14-30(24)26(31)21(27)17-33)20-11-7-8-12-23(20)32-16-19-9-5-4-6-10-19/h4-12,15,18,21,24,33H,3,13-14,16-17,27H2,1-2H3
• InChIKey: VSJWRHFMYOZCKX-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 73.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.64
LogP ≤ 5	4.32
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-[8-butan-2-yl-2-(2-phenylmethoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one?

The IUPAC name of 2-amino-1-[8-butan-2-yl-2-(2-phenylmethoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one (CID 10195380) is 2-amino-1-[8-butan-2-yl-2-(2-phenylmethoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one.

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

The canonical SMILES for 2-amino-1-[8-butan-2-yl-2-(2-phenylmethoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one is CCC(C)C1c2nc(-c3ccccc3OCc3ccccc3)cn2CCN1C(=O)C(N)CS.

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

The InChIKey is VSJWRHFMYOZCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-3-18(2)24-25-28-22(15-29(25)13-14-30(24)26(31)21(27)17-33)20-11-7-8-12-23(20)32-16-19-9-5-4-6-10-19/h4-12,15,18,21,24,33H,3,13-14,16-17,27H2,1-2H3.

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

2-amino-1-[8-butan-2-yl-2-(2-phenylmethoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one has a molecular weight of 464.64 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[8-butan-2-yl-2-(2-phenylmethoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one is sourced from PubChem (CID 10195380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).