(2R)-2-phenyl-2-piperidin-1-yl-1-[(2S)-2-[5-[2-[(2S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone

C32H38F3N7O2 — CID 174594222

About (2R)-2-phenyl-2-piperidin-1-yl-1-[(2S)-2-[5-[2-[(2S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone

(2R)-2-phenyl-2-piperidin-1-yl-1-[(2S)-2-[5-[2-[(2S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 174594222) has the molecular formula C32H38F3N7O2 and a molecular weight of 609.70 g/mol. Its IUPAC name is (2R)-2-phenyl-2-piperidin-1-yl-1-[(2S)-2-[5-[2-[(2S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: (2R)-2-phenyl-2-piperidin-1-yl-1-[(2S)-2-[5-[2-[(2S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 174594222
• Molecular Formula: C32H38F3N7O2
• Molecular Weight: 609.70 g/mol
• Exact Mass: 609.30
• IUPAC Name: (2R)-2-phenyl-2-piperidin-1-yl-1-[(2S)-2-[5-[2-[(2S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
• SMILES: O=C([C@@H](c1ccccc1)N1CCCCC1)N1CCC[C@H]1c1ncc(-c2cnc([C@@H]3CCCN3C(=O)C3(C(F)(F)F)CC3)[nH]2)[nH]1
• InChI: InChI=1S/C32H38F3N7O2/c33-32(34,35)31(13-14-31)30(44)42-18-8-12-25(42)28-37-20-23(39-28)22-19-36-27(38-22)24-11-7-17-41(24)29(43)26(21-9-3-1-4-10-21)40-15-5-2-6-16-40/h1,3-4,9-10,19-20,24-26H,2,5-8,11-18H2,(H,36,38)(H,37,39)/t24-,25-,26+/m0/s1
• InChIKey: GVEJVMSWXIHBKF-KKUQBAQOSA-N
• XLogP: 5.70
• TPSA: 101.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.70
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-piperidin-1-yl-1-[(2S)-2-[5-[2-[(2S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone?

The IUPAC name of (2R)-2-phenyl-2-piperidin-1-yl-1-[(2S)-2-[5-[2-[(2S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone (CID 174594222) is (2R)-2-phenyl-2-piperidin-1-yl-1-[(2S)-2-[5-[2-[(2S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for (2R)-2-phenyl-2-piperidin-1-yl-1-[(2S)-2-[5-[2-[(2S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for (2R)-2-phenyl-2-piperidin-1-yl-1-[(2S)-2-[5-[2-[(2S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone is O=C([C@@H](c1ccccc1)N1CCCCC1)N1CCC[C@H]1c1ncc(-c2cnc([C@@H]3CCCN3C(=O)C3(C(F)(F)F)CC3)[nH]2)[nH]1.

What is the InChIKey of (2R)-2-phenyl-2-piperidin-1-yl-1-[(2S)-2-[5-[2-[(2S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone?

The InChIKey is GVEJVMSWXIHBKF-KKUQBAQOSA-N. The full InChI is InChI=1S/C32H38F3N7O2/c33-32(34,35)31(13-14-31)30(44)42-18-8-12-25(42)28-37-20-23(39-28)22-19-36-27(38-22)24-11-7-17-41(24)29(43)26(21-9-3-1-4-10-21)40-15-5-2-6-16-40/h1,3-4,9-10,19-20,24-26H,2,5-8,11-18H2,(H,36,38)(H,37,39)/t24-,25-,26+/m0/s1.

What are the key properties of (2R)-2-phenyl-2-piperidin-1-yl-1-[(2S)-2-[5-[2-[(2S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone?

(2R)-2-phenyl-2-piperidin-1-yl-1-[(2S)-2-[5-[2-[(2S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 609.70 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-phenyl-2-piperidin-1-yl-1-[(2S)-2-[5-[2-[(2S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 174594222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).