1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea

C26H26F3N3O — CID 58920275

IUPAC1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(NC1CCCC1)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C26H26F3N3O/c27-26(28,29)21-12-8-11-20(17-21)25(23-15-6-7-16-30-23,18-19-9-2-1-3-10-19)32-24(33)31-22-13-4-5-14-22/h1-3,6-12,15-17,22H,4-5,13-14,18H2,(H2,31,32,33)
InChIKeyZYISXPJSUUTWCZ-UHFFFAOYSA-N
MW453.51 g/mol
LogP5.83
Rot. Bonds6

About 1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea

1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 58920275) has the molecular formula C26H26F3N3O and a molecular weight of 453.51 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID58920275
Molecular FormulaC26H26F3N3O
Molecular Weight453.51 g/mol
Exact Mass453.20
IUPAC Name1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(NC1CCCC1)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C26H26F3N3O/c27-26(28,29)21-12-8-11-20(17-21)25(23-15-6-7-16-30-23,18-19-9-2-1-3-10-19)32-24(33)31-22-13-4-5-14-22/h1-3,6-12,15-17,22H,4-5,13-14,18H2,(H2,31,32,33)
InChIKeyZYISXPJSUUTWCZ-UHFFFAOYSA-N
XLogP5.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea 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 1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea (CID 58920275) is 1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea is O=C(NC1CCCC1)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1.
What is the InChIKey of 1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is ZYISXPJSUUTWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O/c27-26(28,29)21-12-8-11-20(17-21)25(23-15-6-7-16-30-23,18-19-9-2-1-3-10-19)32-24(33)31-22-13-4-5-14-22/h1-3,6-12,15-17,22H,4-5,13-14,18H2,(H2,31,32,33).
What are the key properties of 1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea?
1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 453.51 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 58920275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).