(2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one

C26H19F9N4O2 — CID 86650870

IUPAC(2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one
SMILESCC(C)(NC1=C[C@H](c2cccc(OC(F)(F)F)c2)N(c2ccc(C(F)(F)F)cc2)C1=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C26H19F9N4O2/c1-23(2,20-10-11-36-22(37-20)25(30,31)32)38-18-13-19(14-4-3-5-17(12-14)41-26(33,34)35)39(21(18)40)16-8-6-15(7-9-16)24(27,28)29/h3-13,19,38H,1-2H3/t19-/m1/s1
InChIKeyFOLXUFDERASCHH-LJQANCHMSA-N
MW590.45 g/mol
LogP6.91
Rot. Bonds6

About (2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one

(2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one (PubChem CID 86650870) has the molecular formula C26H19F9N4O2 and a molecular weight of 590.45 g/mol. Its IUPAC name is (2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one
PubChem CID86650870
Molecular FormulaC26H19F9N4O2
Molecular Weight590.45 g/mol
Exact Mass590.14
IUPAC Name(2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one
SMILESCC(C)(NC1=C[C@H](c2cccc(OC(F)(F)F)c2)N(c2ccc(C(F)(F)F)cc2)C1=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C26H19F9N4O2/c1-23(2,20-10-11-36-22(37-20)25(30,31)32)38-18-13-19(14-4-3-5-17(12-14)41-26(33,34)35)39(21(18)40)16-8-6-15(7-9-16)24(27,28)29/h3-13,19,38H,1-2H3/t19-/m1/s1
InChIKeyFOLXUFDERASCHH-LJQANCHMSA-N
XLogP6.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.45
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-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 (2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one?
The IUPAC name of (2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one (CID 86650870) is (2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one?
The canonical SMILES for (2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one is CC(C)(NC1=C[C@H](c2cccc(OC(F)(F)F)c2)N(c2ccc(C(F)(F)F)cc2)C1=O)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of (2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one?
The InChIKey is FOLXUFDERASCHH-LJQANCHMSA-N. The full InChI is InChI=1S/C26H19F9N4O2/c1-23(2,20-10-11-36-22(37-20)25(30,31)32)38-18-13-19(14-4-3-5-17(12-14)41-26(33,34)35)39(21(18)40)16-8-6-15(7-9-16)24(27,28)29/h3-13,19,38H,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one?
(2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one has a molecular weight of 590.45 g/mol, XLogP of 6.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one is sourced from PubChem (CID 86650870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).