(8S)-8-(4-fluoro-3-pyrimidin-2-ylphenyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C26H23FN8O — CID 70227530

IUPAC(8S)-8-(4-fluoro-3-pyrimidin-2-ylphenyl)-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(F)c(-c3ncccn3)c2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H23FN8O/c1-16-14-34(15-30-16)22-9-8-21(31-26(22)36-2)24-32-25-18(5-3-12-35(25)33-24)17-6-7-20(27)19(13-17)23-28-10-4-11-29-23/h4,6-11,13-15,18H,3,5,12H2,1-2H3/t18-/m0/s1
InChIKeyWWFCRYRBZOHQDJ-SFHVURJKSA-N
MW482.52 g/mol
LogP4.36
Rot. Bonds5

About (8S)-8-(4-fluoro-3-pyrimidin-2-ylphenyl)-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-fluoro-3-pyrimidin-2-ylphenyl)-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 70227530) has the molecular formula C26H23FN8O and a molecular weight of 482.52 g/mol. Its IUPAC name is (8S)-8-(4-fluoro-3-pyrimidin-2-ylphenyl)-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-fluoro-3-pyrimidin-2-ylphenyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID70227530
Molecular FormulaC26H23FN8O
Molecular Weight482.52 g/mol
Exact Mass482.20
IUPAC Name(8S)-8-(4-fluoro-3-pyrimidin-2-ylphenyl)-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(F)c(-c3ncccn3)c2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H23FN8O/c1-16-14-34(15-30-16)22-9-8-21(31-26(22)36-2)24-32-25-18(5-3-12-35(25)33-24)17-6-7-20(27)19(13-17)23-28-10-4-11-29-23/h4,6-11,13-15,18H,3,5,12H2,1-2H3/t18-/m0/s1
InChIKeyWWFCRYRBZOHQDJ-SFHVURJKSA-N
XLogP4.36
TPSA96.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (8S)-8-(4-fluoro-3-pyrimidin-2-ylphenyl)-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

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Related Compounds

8-(4-fluoro-3-pyrimidin-2-ylphenyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66778795
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
(8S)-8-(4-fluoro-3-methylphenyl)-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 90832298
8-(3,4-difluorophenyl)-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839336
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
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
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-(3-tert-butyl-2-methoxyphenyl)-2-[5-(4-methylimidazol-1-yl)-6-methylperoxy-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 87147414
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
8-(2-fluorophenyl)-2-[2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839687
(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

Frequently Asked Questions

What is the IUPAC name of (8S)-8-(4-fluoro-3-pyrimidin-2-ylphenyl)-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-fluoro-3-pyrimidin-2-ylphenyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 70227530) is (8S)-8-(4-fluoro-3-pyrimidin-2-ylphenyl)-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-fluoro-3-pyrimidin-2-ylphenyl)-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-fluoro-3-pyrimidin-2-ylphenyl)-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(F)c(-c3ncccn3)c2)ccc1-n1cnc(C)c1.
What is the InChIKey of (8S)-8-(4-fluoro-3-pyrimidin-2-ylphenyl)-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 WWFCRYRBZOHQDJ-SFHVURJKSA-N. The full InChI is InChI=1S/C26H23FN8O/c1-16-14-34(15-30-16)22-9-8-21(31-26(22)36-2)24-32-25-18(5-3-12-35(25)33-24)17-6-7-20(27)19(13-17)23-28-10-4-11-29-23/h4,6-11,13-15,18H,3,5,12H2,1-2H3/t18-/m0/s1.
What are the key properties of (8S)-8-(4-fluoro-3-pyrimidin-2-ylphenyl)-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-fluoro-3-pyrimidin-2-ylphenyl)-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 482.52 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(4-fluoro-3-pyrimidin-2-ylphenyl)-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 70227530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).