tert-butyl N-[3-[(2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl]-N-methylcarbamate

C43H52N6O5 — CID 118260728

About tert-butyl N-[3-[(2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl]-N-methylcarbamate

tert-butyl N-[3-[(2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl]-N-methylcarbamate (PubChem CID 118260728) has the molecular formula C43H52N6O5 and a molecular weight of 732.93 g/mol. Its IUPAC name is tert-butyl N-[3-[(2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[3-[(2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl]-N-methylcarbamate
• PubChem CID: 118260728
• Molecular Formula: C43H52N6O5
• Molecular Weight: 732.93 g/mol
• Exact Mass: 732.40
• IUPAC Name: tert-butyl N-[3-[(2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl]-N-methylcarbamate
• SMILES: CN(CCCN(CCCN1CCOCC1)C(=O)Oc1c(Cc2ccccc2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12)C(=O)OC(C)(C)C
• InChI: InChI=1S/C43H52N6O5/c1-43(2,3)54-41(50)46(4)22-14-24-48(25-15-23-47-26-28-52-29-27-47)42(51)53-40-37(31-34-18-10-6-11-19-34)45-39-36(30-33-16-8-5-9-17-33)44-38(32-49(39)40)35-20-12-7-13-21-35/h5-13,16-21,32H,14-15,22-31H2,1-4H3
• InChIKey: SSOPYPMPFHMSLI-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 101.74 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.93
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[3-[(2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl]-N-methylcarbamate (CID 118260728) is tert-butyl N-[3-[(2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[3-[(2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[3-[(2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl]-N-methylcarbamate is CN(CCCN(CCCN1CCOCC1)C(=O)Oc1c(Cc2ccccc2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[3-[(2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl]-N-methylcarbamate?

The InChIKey is SSOPYPMPFHMSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52N6O5/c1-43(2,3)54-41(50)46(4)22-14-24-48(25-15-23-47-26-28-52-29-27-47)42(51)53-40-37(31-34-18-10-6-11-19-34)45-39-36(30-33-16-8-5-9-17-33)44-38(32-49(39)40)35-20-12-7-13-21-35/h5-13,16-21,32H,14-15,22-31H2,1-4H3.

What are the key properties of tert-butyl N-[3-[(2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl]-N-methylcarbamate?

tert-butyl N-[3-[(2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl]-N-methylcarbamate has a molecular weight of 732.93 g/mol, XLogP of 7.36, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[(2,8-dibenzyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)oxycarbonyl-(3-morpholin-4-ylpropyl)amino]propyl]-N-methylcarbamate is sourced from PubChem (CID 118260728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).