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

C38H50N8O4S2 — CID 10175747

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

2-amino-3-[[2-amino-3-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one (PubChem CID 10175747) has the molecular formula C38H50N8O4S2 and a molecular weight of 747.00 g/mol. Its IUPAC name is 2-amino-3-[[2-amino-3-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-amino-3-[[2-amino-3-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
• PubChem CID: 10175747
• Molecular Formula: C38H50N8O4S2
• Molecular Weight: 747.00 g/mol
• Exact Mass: 746.34
• IUPAC Name: 2-amino-3-[[2-amino-3-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
• SMILES: COc1ccccc1-c1cn2c(n1)C(C(C)C)N(C(=O)C(N)CSSCC(N)C(=O)N1CCn3cc(-c4ccccc4OC)nc3C1C(C)C)CC2
• InChI: InChI=1S/C38H50N8O4S2/c1-23(2)33-35-41-29(25-11-7-9-13-31(25)49-5)19-43(35)15-17-45(33)37(47)27(39)21-51-52-22-28(40)38(48)46-18-16-44-20-30(42-36(44)34(46)24(3)4)26-12-8-10-14-32(26)50-6/h7-14,19-20,23-24,27-28,33-34H,15-18,21-22,39-40H2,1-6H3
• InChIKey: DOOAJONCTXAMGF-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 146.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	747.00
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-amino-3-[[2-amino-3-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one (CID 10175747) is 2-amino-3-[[2-amino-3-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one.

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

The canonical SMILES for 2-amino-3-[[2-amino-3-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one is COc1ccccc1-c1cn2c(n1)C(C(C)C)N(C(=O)C(N)CSSCC(N)C(=O)N1CCn3cc(-c4ccccc4OC)nc3C1C(C)C)CC2.

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

The InChIKey is DOOAJONCTXAMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50N8O4S2/c1-23(2)33-35-41-29(25-11-7-9-13-31(25)49-5)19-43(35)15-17-45(33)37(47)27(39)21-51-52-22-28(40)38(48)46-18-16-44-20-30(42-36(44)34(46)24(3)4)26-12-8-10-14-32(26)50-6/h7-14,19-20,23-24,27-28,33-34H,15-18,21-22,39-40H2,1-6H3.

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

2-amino-3-[[2-amino-3-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one has a molecular weight of 747.00 g/mol, XLogP of 5.25, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-[[2-amino-3-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 10175747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).