(8S)-8-[4-bromo-2-(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

C23H20BrF3N6O — CID 46893902

IUPAC(8S)-8-[4-bromo-2-(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
SMILESCOc1nc(-c2nc3n(n2)CCC[C@H]3c2ccc(Br)cc2C(F)(F)F)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H20BrF3N6O/c1-13-11-32(12-28-13)19-8-7-18(29-22(19)34-2)20-30-21-16(4-3-9-33(21)31-20)15-6-5-14(24)10-17(15)23(25,26)27/h5-8,10-12,16H,3-4,9H2,1-2H3/t16-/m0/s1
InChIKeyLSGFLSZTKGIKNL-INIZCTEOSA-N
MW533.35 g/mol
LogP5.55
Rot. Bonds4

About (8S)-8-[4-bromo-2-(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

(8S)-8-[4-bromo-2-(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 (PubChem CID 46893902) has the molecular formula C23H20BrF3N6O and a molecular weight of 533.35 g/mol. Its IUPAC name is (8S)-8-[4-bromo-2-(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.

Molecular Properties

Compound Name(8S)-8-[4-bromo-2-(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
PubChem CID46893902
Molecular FormulaC23H20BrF3N6O
Molecular Weight533.35 g/mol
Exact Mass532.08
IUPAC Name(8S)-8-[4-bromo-2-(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
SMILESCOc1nc(-c2nc3n(n2)CCC[C@H]3c2ccc(Br)cc2C(F)(F)F)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H20BrF3N6O/c1-13-11-32(12-28-13)19-8-7-18(29-22(19)34-2)20-30-21-16(4-3-9-33(21)31-20)15-6-5-14(24)10-17(15)23(25,26)27/h5-8,10-12,16H,3-4,9H2,1-2H3/t16-/m0/s1
InChIKeyLSGFLSZTKGIKNL-INIZCTEOSA-N
XLogP5.55
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.35
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (8S)-8-[4-bromo-2-(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 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 (8S)-8-[4-bromo-2-(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?
The IUPAC name of (8S)-8-[4-bromo-2-(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 46893902) is (8S)-8-[4-bromo-2-(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.
What is the SMILES notation for (8S)-8-[4-bromo-2-(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?
The canonical SMILES for (8S)-8-[4-bromo-2-(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 is COc1nc(-c2nc3n(n2)CCC[C@H]3c2ccc(Br)cc2C(F)(F)F)ccc1-n1cnc(C)c1.
What is the InChIKey of (8S)-8-[4-bromo-2-(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?
The InChIKey is LSGFLSZTKGIKNL-INIZCTEOSA-N. The full InChI is InChI=1S/C23H20BrF3N6O/c1-13-11-32(12-28-13)19-8-7-18(29-22(19)34-2)20-30-21-16(4-3-9-33(21)31-20)15-6-5-14(24)10-17(15)23(25,26)27/h5-8,10-12,16H,3-4,9H2,1-2H3/t16-/m0/s1.
What are the key properties of (8S)-8-[4-bromo-2-(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?
(8S)-8-[4-bromo-2-(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 has a molecular weight of 533.35 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[4-bromo-2-(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 is sourced from PubChem (CID 46893902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).