tert-butyl (2R)-2-[5-[4-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

C32H40N8O4 — CID 24810541

About tert-butyl (2R)-2-[5-[4-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[5-[4-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate (PubChem CID 24810541) has the molecular formula C32H40N8O4 and a molecular weight of 600.72 g/mol. Its IUPAC name is tert-butyl (2R)-2-[5-[4-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2R)-2-[5-[4-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
• PubChem CID: 24810541
• Molecular Formula: C32H40N8O4
• Molecular Weight: 600.72 g/mol
• Exact Mass: 600.32
• IUPAC Name: tert-butyl (2R)-2-[5-[4-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
• SMILES: C[C@H](NC(=O)OC(C)(C)C)c1ncc(-c2cnc(-c3ccc(-c4cnc([C@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cn2)[nH]1
• InChI: InChI=1S/C32H40N8O4/c1-19(37-29(41)43-31(2,3)4)27-35-18-25(39-27)24-17-33-22(15-34-24)20-10-12-21(13-11-20)23-16-36-28(38-23)26-9-8-14-40(26)30(42)44-32(5,6)7/h10-13,15-19,26H,8-9,14H2,1-7H3,(H,35,39)(H,36,38)(H,37,41)/t19-,26+/m0/s1
• InChIKey: WTGWJBYREUVRRY-AFMDSPMNSA-N
• XLogP: 6.58
• TPSA: 151.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.72
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[5-[4-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (2R)-2-[5-[4-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate (CID 24810541) is tert-butyl (2R)-2-[5-[4-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2R)-2-[5-[4-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (2R)-2-[5-[4-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate is C[C@H](NC(=O)OC(C)(C)C)c1ncc(-c2cnc(-c3ccc(-c4cnc([C@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cc3)cn2)[nH]1.

What is the InChIKey of tert-butyl (2R)-2-[5-[4-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate?

The InChIKey is WTGWJBYREUVRRY-AFMDSPMNSA-N. The full InChI is InChI=1S/C32H40N8O4/c1-19(37-29(41)43-31(2,3)4)27-35-18-25(39-27)24-17-33-22(15-34-24)20-10-12-21(13-11-20)23-16-36-28(38-23)26-9-8-14-40(26)30(42)44-32(5,6)7/h10-13,15-19,26H,8-9,14H2,1-7H3,(H,35,39)(H,36,38)(H,37,41)/t19-,26+/m0/s1.

What are the key properties of tert-butyl (2R)-2-[5-[4-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate?

tert-butyl (2R)-2-[5-[4-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 600.72 g/mol, XLogP of 6.58, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R)-2-[5-[4-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 24810541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).