1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea

C25H19F3N4O3 — CID 122183073

IUPAC1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(-c2cncc(Oc3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)n2)cc1
InChIInChI=1S/C25H19F3N4O3/c1-34-20-10-8-16(9-11-20)22-14-29-15-23(32-22)35-21-7-3-6-19(13-21)31-24(33)30-18-5-2-4-17(12-18)25(26,27)28/h2-15H,1H3,(H2,30,31,33)
InChIKeyGGFPCEWQWCMOMX-UHFFFAOYSA-N
MW480.45 g/mol
LogP6.61
Rot. Bonds6

About 1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 122183073) has the molecular formula C25H19F3N4O3 and a molecular weight of 480.45 g/mol. Its IUPAC name is 1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID122183073
Molecular FormulaC25H19F3N4O3
Molecular Weight480.45 g/mol
Exact Mass480.14
IUPAC Name1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(-c2cncc(Oc3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)n2)cc1
InChIInChI=1S/C25H19F3N4O3/c1-34-20-10-8-16(9-11-20)22-14-29-15-23(32-22)35-21-7-3-6-19(13-21)31-24(33)30-18-5-2-4-17(12-18)25(26,27)28/h2-15H,1H3,(H2,30,31,33)
InChIKeyGGFPCEWQWCMOMX-UHFFFAOYSA-N
XLogP6.61
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.45
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-tert-butylphenyl)-3-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]urea
CID 122183074
1-(4-tert-butylphenyl)-3-[3-(6-pyrimidin-5-ylpyrazin-2-yl)oxyphenyl]urea
CID 122183092
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
1-[3-(trifluoromethyl)phenyl]-3-[4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenyl]urea
CID 59343431
6-(4-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801357
1-(2,6-dimethoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2741388
1-[3-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 58917270
1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 2814321
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
1-[2-(4-methoxyphenyl)-2-methylpropyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 113213647
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 970411
6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid
CID 15790812

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 122183073) is 1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea is COc1ccc(-c2cncc(Oc3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)n2)cc1.
What is the InChIKey of 1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is GGFPCEWQWCMOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O3/c1-34-20-10-8-16(9-11-20)22-14-29-15-23(32-22)35-21-7-3-6-19(13-21)31-24(33)30-18-5-2-4-17(12-18)25(26,27)28/h2-15H,1H3,(H2,30,31,33).
What are the key properties of 1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 480.45 g/mol, XLogP of 6.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(4-methoxyphenyl)pyrazin-2-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 122183073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).