(3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one

C26H24F5N3O2 — CID 66937078

IUPAC(3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one
SMILESCC(C)(N[C@@H]1C[C@H](c2ccccc2)N(c2ccc(OC(F)F)cc2)C1=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H24F5N3O2/c1-25(2,21-9-6-10-22(32-21)26(29,30)31)33-19-15-20(16-7-4-3-5-8-16)34(23(19)35)17-11-13-18(14-12-17)36-24(27)28/h3-14,19-20,24,33H,15H2,1-2H3/t19-,20-/m1/s1
InChIKeyRHKOTAGEOYLZMD-WOJBJXKFSA-N
MW505.49 g/mol
LogP6.07
Rot. Bonds7

About (3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one

(3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one (PubChem CID 66937078) has the molecular formula C26H24F5N3O2 and a molecular weight of 505.49 g/mol. Its IUPAC name is (3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one
PubChem CID66937078
Molecular FormulaC26H24F5N3O2
Molecular Weight505.49 g/mol
Exact Mass505.18
IUPAC Name(3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one
SMILESCC(C)(N[C@@H]1C[C@H](c2ccccc2)N(c2ccc(OC(F)F)cc2)C1=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H24F5N3O2/c1-25(2,21-9-6-10-22(32-21)26(29,30)31)33-19-15-20(16-7-4-3-5-8-16)34(23(19)35)17-11-13-18(14-12-17)36-24(27)28/h3-14,19-20,24,33H,15H2,1-2H3/t19-,20-/m1/s1
InChIKeyRHKOTAGEOYLZMD-WOJBJXKFSA-N
XLogP6.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.49
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one?
The IUPAC name of (3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one (CID 66937078) is (3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one.
What is the SMILES notation for (3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one?
The canonical SMILES for (3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one is CC(C)(N[C@@H]1C[C@H](c2ccccc2)N(c2ccc(OC(F)F)cc2)C1=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of (3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one?
The InChIKey is RHKOTAGEOYLZMD-WOJBJXKFSA-N. The full InChI is InChI=1S/C26H24F5N3O2/c1-25(2,21-9-6-10-22(32-21)26(29,30)31)33-19-15-20(16-7-4-3-5-8-16)34(23(19)35)17-11-13-18(14-12-17)36-24(27)28/h3-14,19-20,24,33H,15H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one?
(3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one has a molecular weight of 505.49 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-[4-(difluoromethoxy)phenyl]-5-phenyl-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-2-one is sourced from PubChem (CID 66937078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).