2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine

C25H25F3N4O2 — CID 158709002

IUPAC2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(Cc2nc3c(C(C)C)ccc(OCC(F)(F)F)n3n2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C25H25F3N4O2/c1-15(2)19-7-8-23(34-14-25(26,27)28)32-24(19)30-22(31-32)13-17-5-6-20(21(12-17)33-4)18-9-10-29-16(3)11-18/h5-12,15H,13-14H2,1-4H3
InChIKeyIIMFMCMFPWCPTL-UHFFFAOYSA-N
MW470.50 g/mol
LogP5.76
Rot. Bonds7

About 2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine

2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158709002) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID158709002
Molecular FormulaC25H25F3N4O2
Molecular Weight470.50 g/mol
Exact Mass470.19
IUPAC Name2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(Cc2nc3c(C(C)C)ccc(OCC(F)(F)F)n3n2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C25H25F3N4O2/c1-15(2)19-7-8-23(34-14-25(26,27)28)32-24(19)30-22(31-32)13-17-5-6-20(21(12-17)33-4)18-9-10-29-16(3)11-18/h5-12,15H,13-14H2,1-4H3
InChIKeyIIMFMCMFPWCPTL-UHFFFAOYSA-N
XLogP5.76
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine 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-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine (CID 158709002) is 2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(Cc2nc3c(C(C)C)ccc(OCC(F)(F)F)n3n2)ccc1-c1ccnc(C)c1.
What is the InChIKey of 2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is IIMFMCMFPWCPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c1-15(2)19-7-8-23(34-14-25(26,27)28)32-24(19)30-22(31-32)13-17-5-6-20(21(12-17)33-4)18-9-10-29-16(3)11-18/h5-12,15H,13-14H2,1-4H3.
What are the key properties of 2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine?
2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 470.50 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]methyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158709002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).