1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea

C19H15F3N4O3 — CID 127027298

IUPAC1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea
SMILESCOc1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)Nc3ccccn3)c2)cn1
InChIInChI=1S/C19H15F3N4O3/c1-28-17-8-6-13(11-24-17)12-5-7-15(29-19(20,21)22)14(10-12)25-18(27)26-16-4-2-3-9-23-16/h2-11H,1H3,(H2,23,25,26,27)
InChIKeyWSIYMSDMJXHSJI-UHFFFAOYSA-N
MW404.35 g/mol
LogP4.69
Rot. Bonds5

About 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea

1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea (PubChem CID 127027298) has the molecular formula C19H15F3N4O3 and a molecular weight of 404.35 g/mol. Its IUPAC name is 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea
PubChem CID127027298
Molecular FormulaC19H15F3N4O3
Molecular Weight404.35 g/mol
Exact Mass404.11
IUPAC Name1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea
SMILESCOc1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)Nc3ccccn3)c2)cn1
InChIInChI=1S/C19H15F3N4O3/c1-28-17-8-6-13(11-24-17)12-5-7-15(29-19(20,21)22)14(10-12)25-18(27)26-16-4-2-3-9-23-16/h2-11H,1H3,(H2,23,25,26,27)
InChIKeyWSIYMSDMJXHSJI-UHFFFAOYSA-N
XLogP4.69
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Lexibulin
CID 11351021
1-(7-Methoxyquinolin-4-yl)-3-[6-(trifluoromethyl)pyridin-2-yl]urea
CID 49830684
3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
Urea, N-[4-[(2,3-dihydro-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]-N'-[2-methoxy-5-(trifluoromethyl)phenyl]-
CID 42626197
N~3~-[3-(5-Methoxypyridin-3-YL)benzyl]pyridine-2,3-diamine
CID 11500493
US10155760, Example 23
CID 118419711
US10155760, Example 19
CID 118419969
US10155760, Example 12
CID 118420154
US10155760, Example 27
CID 118420285
US10155760, Example 1
CID 118420330
US10155760, Example 24
CID 118429705
US10155760, Example 117
CID 118429768

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea (CID 127027298) is 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea is COc1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)Nc3ccccn3)c2)cn1.
What is the InChIKey of 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea?
The InChIKey is WSIYMSDMJXHSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3/c1-28-17-8-6-13(11-24-17)12-5-7-15(29-19(20,21)22)14(10-12)25-18(27)26-16-4-2-3-9-23-16/h2-11H,1H3,(H2,23,25,26,27).
What are the key properties of 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea?
1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea has a molecular weight of 404.35 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 127027298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).