N-[(1R)-2-oxo-1-phenyl-2-[2-[5-[4-[4-[2-[1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]-2-pyridin-3-ylacetamide

C56H52N10O4 — CID 90730667

About N-[(1R)-2-oxo-1-phenyl-2-[2-[5-[4-[4-[2-[1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]-2-pyridin-3-ylacetamide

N-[(1R)-2-oxo-1-phenyl-2-[2-[5-[4-[4-[2-[1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]-2-pyridin-3-ylacetamide (PubChem CID 90730667) has the molecular formula C56H52N10O4 and a molecular weight of 929.10 g/mol. Its IUPAC name is N-[(1R)-2-oxo-1-phenyl-2-[2-[5-[4-[4-[2-[1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]-2-pyridin-3-ylacetamide.

Molecular Properties

• Compound Name: N-[(1R)-2-oxo-1-phenyl-2-[2-[5-[4-[4-[2-[1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]-2-pyridin-3-ylacetamide
• PubChem CID: 90730667
• Molecular Formula: C56H52N10O4
• Molecular Weight: 929.10 g/mol
• Exact Mass: 928.42
• IUPAC Name: N-[(1R)-2-oxo-1-phenyl-2-[2-[5-[4-[4-[2-[1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]-2-pyridin-3-ylacetamide
• SMILES: O=C(Cc1cccnc1)N[C@@H](C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)[C@H](NC(=O)Cc5cccnc5)c5ccccc5)[nH]4)cc3)cc2)[nH]1)c1ccccc1
• InChI: InChI=1S/C56H52N10O4/c67-49(31-37-11-7-27-57-33-37)63-51(43-13-3-1-4-14-43)55(69)65-29-9-17-47(65)53-59-35-45(61-53)41-23-19-39(20-24-41)40-21-25-42(26-22-40)46-36-60-54(62-46)48-18-10-30-66(48)56(70)52(44-15-5-2-6-16-44)64-50(68)32-38-12-8-28-58-34-38/h1-8,11-16,19-28,33-36,47-48,51-52H,9-10,17-18,29-32H2,(H,59,61)(H,60,62)(H,63,67)(H,64,68)/t47?,48?,51-,52-/m1/s1
• InChIKey: XRLZRYGYLZMQML-NBFUBCPJSA-N
• XLogP: 8.45
• TPSA: 181.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.10
LogP ≤ 5	8.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-oxo-1-phenyl-2-[2-[5-[4-[4-[2-[1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]-2-pyridin-3-ylacetamide?

The IUPAC name of N-[(1R)-2-oxo-1-phenyl-2-[2-[5-[4-[4-[2-[1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]-2-pyridin-3-ylacetamide (CID 90730667) is N-[(1R)-2-oxo-1-phenyl-2-[2-[5-[4-[4-[2-[1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]-2-pyridin-3-ylacetamide.

What is the SMILES notation for N-[(1R)-2-oxo-1-phenyl-2-[2-[5-[4-[4-[2-[1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]-2-pyridin-3-ylacetamide?

The canonical SMILES for N-[(1R)-2-oxo-1-phenyl-2-[2-[5-[4-[4-[2-[1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)N[C@@H](C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)[C@H](NC(=O)Cc5cccnc5)c5ccccc5)[nH]4)cc3)cc2)[nH]1)c1ccccc1.

What is the InChIKey of N-[(1R)-2-oxo-1-phenyl-2-[2-[5-[4-[4-[2-[1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]-2-pyridin-3-ylacetamide?

The InChIKey is XRLZRYGYLZMQML-NBFUBCPJSA-N. The full InChI is InChI=1S/C56H52N10O4/c67-49(31-37-11-7-27-57-33-37)63-51(43-13-3-1-4-14-43)55(69)65-29-9-17-47(65)53-59-35-45(61-53)41-23-19-39(20-24-41)40-21-25-42(26-22-40)46-36-60-54(62-46)48-18-10-30-66(48)56(70)52(44-15-5-2-6-16-44)64-50(68)32-38-12-8-28-58-34-38/h1-8,11-16,19-28,33-36,47-48,51-52H,9-10,17-18,29-32H2,(H,59,61)(H,60,62)(H,63,67)(H,64,68)/t47?,48?,51-,52-/m1/s1.

What are the key properties of N-[(1R)-2-oxo-1-phenyl-2-[2-[5-[4-[4-[2-[1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]-2-pyridin-3-ylacetamide?

N-[(1R)-2-oxo-1-phenyl-2-[2-[5-[4-[4-[2-[1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]-2-pyridin-3-ylacetamide has a molecular weight of 929.10 g/mol, XLogP of 8.45, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-oxo-1-phenyl-2-[2-[5-[4-[4-[2-[1-[(2R)-2-phenyl-2-[(2-pyridin-3-ylacetyl)amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 90730667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).