(8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C46H42F6N12O2 — CID 158473612

IUPAC(8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2nc3n(n2)CCC[C@@H]3c2ccccc2C(F)(F)F)cnc1-n1cnc(C)c1.COc1cc(-c2nc3n(n2)CCC[C@H]3c2ccccc2C(F)(F)F)cnc1-n1cnc(C)c1
InChIInChI=1S/2C23H21F3N6O/c2*1-14-12-31(13-28-14)22-19(33-2)10-15(11-27-22)20-29-21-17(7-5-9-32(21)30-20)16-6-3-4-8-18(16)23(24,25)26/h2*3-4,6,8,10-13,17H,5,7,9H2,1-2H3/t2*17-/m10/s1
InChIKeyHGQUEKJMPBVGRV-QAOGLABXSA-N
MW908.91 g/mol
LogP9.57
Rot. Bonds8

About (8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

(8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158473612) has the molecular formula C46H42F6N12O2 and a molecular weight of 908.91 g/mol. Its IUPAC name is (8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name(8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID158473612
Molecular FormulaC46H42F6N12O2
Molecular Weight908.91 g/mol
Exact Mass908.35
IUPAC Name(8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cc(-c2nc3n(n2)CCC[C@@H]3c2ccccc2C(F)(F)F)cnc1-n1cnc(C)c1.COc1cc(-c2nc3n(n2)CCC[C@H]3c2ccccc2C(F)(F)F)cnc1-n1cnc(C)c1
InChIInChI=1S/2C23H21F3N6O/c2*1-14-12-31(13-28-14)22-19(33-2)10-15(11-27-22)20-29-21-17(7-5-9-32(21)30-20)16-6-3-4-8-18(16)23(24,25)26/h2*3-4,6,8,10-13,17H,5,7,9H2,1-2H3/t2*17-/m10/s1
InChIKeyHGQUEKJMPBVGRV-QAOGLABXSA-N
XLogP9.57
TPSA141.30 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500908.91
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze (8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

E-2212
CID 46854987
(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 49872384
CID 70227534
CID 70227534
2-((3-(Difluoromethoxy)pyridin-2-yl)methyl)-7-(4-fluorophenyl)-8-(imidazo[l,2-a]pyridin-6-yl)-[1,2,4 triazolo[l,5-c]pyrimidin-5-amine
CID 155371229
(5S)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 145970305
2-[2-[8-(Difluoromethoxy)-3-methylimidazo[1,2-a]pyridin-2-yl]cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 72710211
US20230399342, Example 27
CID 170433480
US20230399342, Example 26
CID 170433779
2-{(E)-2-[6-Methoxy-5-(4-methyl-1H-imidazol-1-yl)pyridin-2-yl]vinyl}-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine
CID 25213057
6-(3-Methoxypyridin-4-yl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 151369918
(8R)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-yl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 46912698
US11912703, Example 388
CID 147721475

Frequently Asked Questions

What is the IUPAC name of (8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of (8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 158473612) is (8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for (8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for (8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2nc3n(n2)CCC[C@@H]3c2ccccc2C(F)(F)F)cnc1-n1cnc(C)c1.COc1cc(-c2nc3n(n2)CCC[C@H]3c2ccccc2C(F)(F)F)cnc1-n1cnc(C)c1.
What is the InChIKey of (8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HGQUEKJMPBVGRV-QAOGLABXSA-N. The full InChI is InChI=1S/2C23H21F3N6O/c2*1-14-12-31(13-28-14)22-19(33-2)10-15(11-27-22)20-29-21-17(7-5-9-32(21)30-20)16-6-3-4-8-18(16)23(24,25)26/h2*3-4,6,8,10-13,17H,5,7,9H2,1-2H3/t2*17-/m10/s1.
What are the key properties of (8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
(8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 908.91 g/mol, XLogP of 9.57, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8S)-2-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158473612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).