1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-4-ylurea

C19H15F3N4O3 — CID 127036183

IUPAC1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-4-ylurea
SMILESCOc1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)Nc3ccncc3)c2)cn1
InChIInChI=1S/C19H15F3N4O3/c1-28-17-5-3-13(11-24-17)12-2-4-16(29-19(20,21)22)15(10-12)26-18(27)25-14-6-8-23-9-7-14/h2-11H,1H3,(H2,23,25,26,27)
InChIKeyRPXILCAORZPTRI-UHFFFAOYSA-N
MW404.35 g/mol
LogP4.69
Rot. Bonds5

About 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-4-ylurea

1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-4-ylurea (PubChem CID 127036183) 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-4-ylurea.

Molecular Properties

Compound Name1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-4-ylurea
PubChem CID127036183
Molecular FormulaC19H15F3N4O3
Molecular Weight404.35 g/mol
Exact Mass404.11
IUPAC Name1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-4-ylurea
SMILESCOc1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)Nc3ccncc3)c2)cn1
InChIInChI=1S/C19H15F3N4O3/c1-28-17-5-3-13(11-24-17)12-2-4-16(29-19(20,21)22)15(10-12)26-18(27)25-14-6-8-23-9-7-14/h2-11H,1H3,(H2,23,25,26,27)
InChIKeyRPXILCAORZPTRI-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

1-(7-(111C)methoxyquinolin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 168275719
4-(2-Methoxy-5-methylanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10133128
4-(2-Methoxy-5-methylanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 22732426
(2R)-N-[(1R)-1-(3-fluoro-5-methoxyphenyl)ethyl]-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide
CID 155438918
(2R)-N-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide
CID 155438923
(2R)-N-[(1R)-1-(2-fluoro-3-methoxyphenyl)ethyl]-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide
CID 155749547
(2R)-N-[(1R)-1-(2-fluoro-5-methoxyphenyl)ethyl]-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide
CID 166049448
1-(2-Methoxyphenyl)-3-[4-(pyridin-4-ylmethyl)phenyl]urea
CID 3912902
1-(Isoquinolin-5-yl)-3-(2-(4-methoxyphenyl)-3-(pyridin-3-yl)propyl)urea
CID 44444349
1-[4-Methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-(3-pyridin-4-ylphenyl)urea
CID 44533225
1-[4-Methoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-[4-pyridin-4-yl-3-(trifluoromethyl)phenyl]urea
CID 44533345
1-[3-(6-Methoxy-3-pyridinyl)-5-(trifluoromethyl)phenyl]-3-pyridin-4-ylurea
CID 127025156

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-4-ylurea (CID 127036183) is 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-4-ylurea is COc1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)Nc3ccncc3)c2)cn1.
What is the InChIKey of 1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-4-ylurea?
The InChIKey is RPXILCAORZPTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3/c1-28-17-5-3-13(11-24-17)12-2-4-16(29-19(20,21)22)15(10-12)26-18(27)25-14-6-8-23-9-7-14/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-4-ylurea?
1-[5-(6-methoxy-3-pyridinyl)-2-(trifluoromethoxy)phenyl]-3-pyridin-4-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-4-ylurea is sourced from PubChem (CID 127036183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).