2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C20H16F3N5O4 — CID 56595840

IUPAC2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOc1cnc(OCCn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)nc1
InChIInChI=1S/C20H16F3N5O4/c1-30-16-10-24-18(25-11-16)31-9-8-28-19(29)27-12-14(4-7-17(27)26-28)13-2-5-15(6-3-13)32-20(21,22)23/h2-7,10-12H,8-9H2,1H3
InChIKeyGUKRGCNHZGAJRU-UHFFFAOYSA-N
MW447.37 g/mol
LogP2.94
Rot. Bonds7

About 2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 56595840) has the molecular formula C20H16F3N5O4 and a molecular weight of 447.37 g/mol. Its IUPAC name is 2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID56595840
Molecular FormulaC20H16F3N5O4
Molecular Weight447.37 g/mol
Exact Mass447.12
IUPAC Name2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOc1cnc(OCCn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)nc1
InChIInChI=1S/C20H16F3N5O4/c1-30-16-10-24-18(25-11-16)31-9-8-28-19(29)27-12-14(4-7-17(27)26-28)13-2-5-15(6-3-13)32-20(21,22)23/h2-7,10-12H,8-9H2,1H3
InChIKeyGUKRGCNHZGAJRU-UHFFFAOYSA-N
XLogP2.94
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 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 2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 56595840) is 2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is COc1cnc(OCCn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)nc1.
What is the InChIKey of 2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is GUKRGCNHZGAJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O4/c1-30-16-10-24-18(25-11-16)31-9-8-28-19(29)27-12-14(4-7-17(27)26-28)13-2-5-15(6-3-13)32-20(21,22)23/h2-7,10-12H,8-9H2,1H3.
What are the key properties of 2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 447.37 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methoxypyrimidin-2-yl)oxyethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 56595840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).