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

C22H16F3N5O2 — CID 155544169

IUPAC1-(3-acetylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc3nc(-c4cccc(C(F)(F)F)c4)nn3c2)c1
InChIInChI=1S/C22H16F3N5O2/c1-13(31)14-4-3-7-17(11-14)26-21(32)27-18-8-9-19-28-20(29-30(19)12-18)15-5-2-6-16(10-15)22(23,24)25/h2-12H,1H3,(H2,26,27,32)
InChIKeyQYZNFDWCNLCCAR-UHFFFAOYSA-N
MW439.40 g/mol
LogP5.26
Rot. Bonds4

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

1-(3-acetylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (PubChem CID 155544169) has the molecular formula C22H16F3N5O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
PubChem CID155544169
Molecular FormulaC22H16F3N5O2
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC Name1-(3-acetylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESCC(=O)c1cccc(NC(=O)Nc2ccc3nc(-c4cccc(C(F)(F)F)c4)nn3c2)c1
InChIInChI=1S/C22H16F3N5O2/c1-13(31)14-4-3-7-17(11-14)26-21(32)27-18-8-9-19-28-20(29-30(19)12-18)15-5-2-6-16(10-15)22(23,24)25/h2-12H,1H3,(H2,26,27,32)
InChIKeyQYZNFDWCNLCCAR-UHFFFAOYSA-N
XLogP5.26
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.40
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 155558292
2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117130740
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 57386062
1-[2-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 155553457
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (CID 155544169) is 1-(3-acetylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is CC(=O)c1cccc(NC(=O)Nc2ccc3nc(-c4cccc(C(F)(F)F)c4)nn3c2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The InChIKey is QYZNFDWCNLCCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2/c1-13(31)14-4-3-7-17(11-14)26-21(32)27-18-8-9-19-28-20(29-30(19)12-18)15-5-2-6-16(10-15)22(23,24)25/h2-12H,1H3,(H2,26,27,32).
What are the key properties of 1-(3-acetylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
1-(3-acetylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea has a molecular weight of 439.40 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is sourced from PubChem (CID 155544169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).