(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone

C46H49N7O3 — CID 58432492

About (2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone

(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone (PubChem CID 58432492) has the molecular formula C46H49N7O3 and a molecular weight of 747.94 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

• Compound Name: (2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
• PubChem CID: 58432492
• Molecular Formula: C46H49N7O3
• Molecular Weight: 747.94 g/mol
• Exact Mass: 747.39
• IUPAC Name: (2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
• SMILES: CN(C)[C@@H](C(=O)N1CCO[C@H]1C1=NC=C(c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N(C)C)[nH]4)cc3)cc2)C1)c1ccccc1
• InChI: InChI=1S/C46H49N7O3/c1-50(2)41(35-12-7-5-8-13-35)44(54)52-25-11-16-40(52)43-48-30-39(49-43)34-23-21-32(22-24-34)31-17-19-33(20-18-31)37-28-38(47-29-37)46-53(26-27-56-46)45(55)42(51(3)4)36-14-9-6-10-15-36/h5-10,12-15,17-24,29-30,40-42,46H,11,16,25-28H2,1-4H3,(H,48,49)/t40-,41+,42+,46-/m0/s1
• InChIKey: QDZMSECZONTAHM-ZXFAIOFXSA-N
• XLogP: 7.38
• TPSA: 97.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.94
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone?

The IUPAC name of (2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone (CID 58432492) is (2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone.

What is the SMILES notation for (2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone?

The canonical SMILES for (2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone is CN(C)[C@@H](C(=O)N1CCO[C@H]1C1=NC=C(c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N(C)C)[nH]4)cc3)cc2)C1)c1ccccc1.

What is the InChIKey of (2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone?

The InChIKey is QDZMSECZONTAHM-ZXFAIOFXSA-N. The full InChI is InChI=1S/C46H49N7O3/c1-50(2)41(35-12-7-5-8-13-35)44(54)52-25-11-16-40(52)43-48-30-39(49-43)34-23-21-32(22-24-34)31-17-19-33(20-18-31)37-28-38(47-29-37)46-53(26-27-56-46)45(55)42(51(3)4)36-14-9-6-10-15-36/h5-10,12-15,17-24,29-30,40-42,46H,11,16,25-28H2,1-4H3,(H,48,49)/t40-,41+,42+,46-/m0/s1.

What are the key properties of (2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone?

(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 747.94 g/mol, XLogP of 7.38, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(dimethylamino)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-3-[(2R)-2-(dimethylamino)-2-phenylacetyl]-1,3-oxazolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 58432492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).