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

C23H21F3N6O — CID 70226165

IUPAC(7R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1nc(-c2nc3n(n2)CC[C@@H](c2cccc(C(F)(F)F)c2)C3)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H21F3N6O/c1-14-12-31(13-27-14)19-7-6-18(28-22(19)33-2)21-29-20-11-16(8-9-32(20)30-21)15-4-3-5-17(10-15)23(24,25)26/h3-7,10,12-13,16H,8-9,11H2,1-2H3/t16-/m1/s1
InChIKeyXOBAACQZUNUAHQ-MRXNPFEDSA-N
MW454.46 g/mol
LogP4.59
Rot. Bonds4

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

(7R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 70226165) has the molecular formula C23H21F3N6O and a molecular weight of 454.46 g/mol. Its IUPAC name is (7R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name(7R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID70226165
Molecular FormulaC23H21F3N6O
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC Name(7R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1nc(-c2nc3n(n2)CC[C@@H](c2cccc(C(F)(F)F)c2)C3)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H21F3N6O/c1-14-12-31(13-27-14)19-7-6-18(28-22(19)33-2)21-29-20-11-16(8-9-32(20)30-21)15-4-3-5-17(10-15)23(24,25)26/h3-7,10,12-13,16H,8-9,11H2,1-2H3/t16-/m1/s1
InChIKeyXOBAACQZUNUAHQ-MRXNPFEDSA-N
XLogP4.59
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66778067
(8R)-8-[2-fluoro-4-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 70228089
8-fluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 142710498
8-(4-fluorophenyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 67606635
2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 67607345
2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839057
(8R)-6,6-difluoro-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
CID 70226905
8-[2-chloro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66778404
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67346923
2-methoxy-3-(4-methylimidazol-1-yl)-6-[5-(3-phenylpiperidin-1-yl)-1-propan-2-yl-1,2,4-triazol-3-yl]pyridine;hydrochloride
CID 67608805
2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-9-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine
CID 66777815
2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[3-(trifluoromethoxy)hepta-3,5-dien-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 91581396

Frequently Asked Questions

What is the IUPAC name of (7R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of (7R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 70226165) is (7R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for (7R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for (7R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is COc1nc(-c2nc3n(n2)CC[C@@H](c2cccc(C(F)(F)F)c2)C3)ccc1-n1cnc(C)c1.
What is the InChIKey of (7R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is XOBAACQZUNUAHQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H21F3N6O/c1-14-12-31(13-27-14)19-7-6-18(28-22(19)33-2)21-29-20-11-16(8-9-32(20)30-21)15-4-3-5-17(10-15)23(24,25)26/h3-7,10,12-13,16H,8-9,11H2,1-2H3/t16-/m1/s1.
What are the key properties of (7R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
(7R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 454.46 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 70226165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).