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

C21H16F3N5O3 — CID 155554527

IUPAC1-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCOc1ccccc1-c1nc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cn2n1
InChIInChI=1S/C21H16F3N5O3/c1-31-17-5-3-2-4-16(17)19-27-18-11-8-14(12-29(18)28-19)26-20(30)25-13-6-9-15(10-7-13)32-21(22,23)24/h2-12H,1H3,(H2,25,26,30)
InChIKeyAJRLPNQEEYUYEU-UHFFFAOYSA-N
MW443.39 g/mol
LogP4.95
Rot. Bonds5

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

1-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 155554527) has the molecular formula C21H16F3N5O3 and a molecular weight of 443.39 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID155554527
Molecular FormulaC21H16F3N5O3
Molecular Weight443.39 g/mol
Exact Mass443.12
IUPAC Name1-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCOc1ccccc1-c1nc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cn2n1
InChIInChI=1S/C21H16F3N5O3/c1-31-17-5-3-2-4-16(17)19-27-18-11-8-14(12-29(18)28-19)26-20(30)25-13-6-9-15(10-7-13)32-21(22,23)24/h2-12H,1H3,(H2,25,26,30)
InChIKeyAJRLPNQEEYUYEU-UHFFFAOYSA-N
XLogP4.95
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 155554527) is 1-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea is COc1ccccc1-c1nc2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cn2n1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is AJRLPNQEEYUYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O3/c1-31-17-5-3-2-4-16(17)19-27-18-11-8-14(12-29(18)28-19)26-20(30)25-13-6-9-15(10-7-13)32-21(22,23)24/h2-12H,1H3,(H2,25,26,30).
What are the key properties of 1-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 443.39 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 155554527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).