2-(3-methoxy-4-pyridin-4-ylphenyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C25H21F3N4O — CID 56969604

IUPAC2-(3-methoxy-4-pyridin-4-ylphenyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2nc3n(n2)CCCC3c2ccccc2C(F)(F)F)ccc1-c1ccncc1
InChIInChI=1S/C25H21F3N4O/c1-33-22-15-17(8-9-18(22)16-10-12-29-13-11-16)23-30-24-20(6-4-14-32(24)31-23)19-5-2-3-7-21(19)25(26,27)28/h2-3,5,7-13,15,20H,4,6,14H2,1H3
InChIKeyKVWIRJHUHZTNEE-UHFFFAOYSA-N
MW450.46 g/mol
LogP5.96
Rot. Bonds4

About 2-(3-methoxy-4-pyridin-4-ylphenyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

2-(3-methoxy-4-pyridin-4-ylphenyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 56969604) has the molecular formula C25H21F3N4O and a molecular weight of 450.46 g/mol. Its IUPAC name is 2-(3-methoxy-4-pyridin-4-ylphenyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(3-methoxy-4-pyridin-4-ylphenyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID56969604
Molecular FormulaC25H21F3N4O
Molecular Weight450.46 g/mol
Exact Mass450.17
IUPAC Name2-(3-methoxy-4-pyridin-4-ylphenyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2nc3n(n2)CCCC3c2ccccc2C(F)(F)F)ccc1-c1ccncc1
InChIInChI=1S/C25H21F3N4O/c1-33-22-15-17(8-9-18(22)16-10-12-29-13-11-16)23-30-24-20(6-4-14-32(24)31-23)19-5-2-3-7-21(19)25(26,27)28/h2-3,5,7-13,15,20H,4,6,14H2,1H3
InChIKeyKVWIRJHUHZTNEE-UHFFFAOYSA-N
XLogP5.96
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.46
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-iodo-1H-indol-2-yl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 136619880
(8R)-8-(2-chlorophenyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66857407
(8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66857040
2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-methyl-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 66856976
(8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 67607112
(8R)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 159586904
8-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66857592
(8R)-8-(4-fluoro-2-methylphenyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66855889
(8R)-8-(4-fluoro-2-methylphenyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;hydrochloride
CID 67605970
8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117158236
[3-(4-methylimidazol-1-yl)-6-[(E)-2-[8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethenyl]-2-pyridinyl]methanol
CID 58351059
8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67325259

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-pyridin-4-ylphenyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(3-methoxy-4-pyridin-4-ylphenyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 56969604) is 2-(3-methoxy-4-pyridin-4-ylphenyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(3-methoxy-4-pyridin-4-ylphenyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(3-methoxy-4-pyridin-4-ylphenyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2nc3n(n2)CCCC3c2ccccc2C(F)(F)F)ccc1-c1ccncc1.
What is the InChIKey of 2-(3-methoxy-4-pyridin-4-ylphenyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KVWIRJHUHZTNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O/c1-33-22-15-17(8-9-18(22)16-10-12-29-13-11-16)23-30-24-20(6-4-14-32(24)31-23)19-5-2-3-7-21(19)25(26,27)28/h2-3,5,7-13,15,20H,4,6,14H2,1H3.
What are the key properties of 2-(3-methoxy-4-pyridin-4-ylphenyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2-(3-methoxy-4-pyridin-4-ylphenyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 450.46 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-pyridin-4-ylphenyl)-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 56969604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).