1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea

C18H12F3N5O2 — CID 155558292

IUPAC1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2nc(-c3ccoc3)nn2c1
InChIInChI=1S/C18H12F3N5O2/c19-18(20,21)12-2-1-3-13(8-12)22-17(27)23-14-4-5-15-24-16(25-26(15)9-14)11-6-7-28-10-11/h1-10H,(H2,22,23,27)
InChIKeyHZVWGGGIXGPERZ-UHFFFAOYSA-N
MW387.32 g/mol
LogP4.65
Rot. Bonds3

About 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea

1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 155558292) has the molecular formula C18H12F3N5O2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID155558292
Molecular FormulaC18H12F3N5O2
Molecular Weight387.32 g/mol
Exact Mass387.09
IUPAC Name1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2nc(-c3ccoc3)nn2c1
InChIInChI=1S/C18H12F3N5O2/c19-18(20,21)12-2-1-3-13(8-12)22-17(27)23-14-4-5-15-24-16(25-26(15)9-14)11-6-7-28-10-11/h1-10H,(H2,22,23,27)
InChIKeyHZVWGGGIXGPERZ-UHFFFAOYSA-N
XLogP4.65
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-(3-acetylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 155544169
1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 155553457
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-(3,4-dimethoxyphenyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 155559977
1-[4-(pyridin-4-ylmethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 10248635
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 50847939
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea (CID 155558292) is 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2nc(-c3ccoc3)nn2c1.
What is the InChIKey of 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is HZVWGGGIXGPERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O2/c19-18(20,21)12-2-1-3-13(8-12)22-17(27)23-14-4-5-15-24-16(25-26(15)9-14)11-6-7-28-10-11/h1-10H,(H2,22,23,27).
What are the key properties of 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 387.32 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 155558292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).