8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine

C132H126F9N27O6 — CID 158998060

IUPAC8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCc1ncccc1-c1ccc(CCc2c(F)cccc2OC)n2cnnc12.CCc1ncncc1-c1ccc(CCc2c(F)cccc2OC)n2cnnc12.COc1cc(CCc2ccc(-c3cccnc3C)c3nncn23)c(F)cc1C.COc1cccc(F)c1CCc1ccc(-c2cc(C(F)(F)F)ncc2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cn(C(C)C)nc2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cnc(C3CC3)nc2C)c2nncn12
InChIInChI=1S/C23H22FN5O.C22H18F4N4O.C22H24FN5O.2C22H21FN4O.C21H20FN5O/c1-14-19(12-25-22(27-14)15-6-7-15)17-10-8-16(29-13-26-28-23(17)29)9-11-18-20(24)4-3-5-21(18)30-2;1-13-11-27-20(22(24,25)26)10-17(13)15-8-6-14(30-12-28-29-21(15)30)7-9-16-18(23)4-3-5-19(16)31-2;1-14(2)28-12-19(15(3)26-28)17-10-8-16(27-13-24-25-22(17)27)9-11-18-20(23)6-5-7-21(18)29-4;1-14-11-20(23)16(12-21(14)28-3)6-7-17-8-9-19(22-26-25-13-27(17)22)18-5-4-10-24-15(18)2;1-3-20-16(6-5-13-24-20)17-11-9-15(27-14-25-26-22(17)27)10-12-18-19(23)7-4-8-21(18)28-2;1-3-19-17(11-23-12-24-19)15-9-7-14(27-13-25-26-21(15)27)8-10-16-18(22)5-4-6-20(16)28-2/h3-5,8,10,12-13,15H,6-7,9,11H2,1-2H3;3-6,8,10-12H,7,9H2,1-2H3;5-8,10,12-14H,9,11H2,1-4H3;4-5,8-13H,6-7H2,1-3H3;4-9,11,13-14H,3,10,12H2,1-2H3;4-7,9,11-13H,3,8,10H2,1-2H3
InChIKeyJQZMRFMTWJQAIM-UHFFFAOYSA-N
MW2357.62 g/mol
LogP26.08
Rot. Bonds34

About 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine

8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 158998060) has the molecular formula C132H126F9N27O6 and a molecular weight of 2357.62 g/mol. Its IUPAC name is 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID158998060
Molecular FormulaC132H126F9N27O6
Molecular Weight2357.62 g/mol
Exact Mass2356.02
IUPAC Name8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCc1ncccc1-c1ccc(CCc2c(F)cccc2OC)n2cnnc12.CCc1ncncc1-c1ccc(CCc2c(F)cccc2OC)n2cnnc12.COc1cc(CCc2ccc(-c3cccnc3C)c3nncn23)c(F)cc1C.COc1cccc(F)c1CCc1ccc(-c2cc(C(F)(F)F)ncc2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cn(C(C)C)nc2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cnc(C3CC3)nc2C)c2nncn12
InChIInChI=1S/C23H22FN5O.C22H18F4N4O.C22H24FN5O.2C22H21FN4O.C21H20FN5O/c1-14-19(12-25-22(27-14)15-6-7-15)17-10-8-16(29-13-26-28-23(17)29)9-11-18-20(24)4-3-5-21(18)30-2;1-13-11-27-20(22(24,25)26)10-17(13)15-8-6-14(30-12-28-29-21(15)30)7-9-16-18(23)4-3-5-19(16)31-2;1-14(2)28-12-19(15(3)26-28)17-10-8-16(27-13-24-25-22(17)27)9-11-18-20(23)6-5-7-21(18)29-4;1-14-11-20(23)16(12-21(14)28-3)6-7-17-8-9-19(22-26-25-13-27(17)22)18-5-4-10-24-15(18)2;1-3-20-16(6-5-13-24-20)17-11-9-15(27-14-25-26-22(17)27)10-12-18-19(23)7-4-8-21(18)28-2;1-3-19-17(11-23-12-24-19)15-9-7-14(27-13-25-26-21(15)27)8-10-16-18(22)5-4-6-20(16)28-2/h3-5,8,10,12-13,15H,6-7,9,11H2,1-2H3;3-6,8,10-12H,7,9H2,1-2H3;5-8,10,12-14H,9,11H2,1-4H3;4-5,8-13H,6-7H2,1-3H3;4-9,11,13-14H,3,10,12H2,1-2H3;4-7,9,11-13H,3,8,10H2,1-2H3
InChIKeyJQZMRFMTWJQAIM-UHFFFAOYSA-N
XLogP26.08
TPSA344.57 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds34
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002357.62
LogP ≤ 526.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Launch Full Analysis

Related Compounds

3-(4-fluoro-3-methoxyphenyl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879519
US20240409538, Example 39
CID 171782541
3-(4-fluoro-3-methoxyphenyl)-7-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 59177968
7-[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-fluorophenyl]-3-(3-methoxy-4-methylphenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 70921039
3-(4-Fluoro-3-methoxyphenyl)-7-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 75223650
2-[3-(Fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 118975974
4-[4-[4-[4-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7-[[2-[1-[6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-methylpiperidin-4-yl]-4-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 130455743
3-(Difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[4-(2-methoxypropan-2-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362304
3-(1,1-Difluoroethyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane;3-(1-fluoroethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 142362599
3-(4-fluoro-3-methoxyphenyl)-7-[4-[(4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 143857946
1-[6-[2-[2-[3-[[4-[3-[(dimethylamino)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]methyl]-1-methylpyrazol-4-yl]ethoxy]-4-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N,N-dimethylmethanamine
CID 154954870
6-[5-[4-[3-([1,2,4]Triazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]phenyl]-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 155371092

Frequently Asked Questions

What is the IUPAC name of 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 158998060) is 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine is CCc1ncccc1-c1ccc(CCc2c(F)cccc2OC)n2cnnc12.CCc1ncncc1-c1ccc(CCc2c(F)cccc2OC)n2cnnc12.COc1cc(CCc2ccc(-c3cccnc3C)c3nncn23)c(F)cc1C.COc1cccc(F)c1CCc1ccc(-c2cc(C(F)(F)F)ncc2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cn(C(C)C)nc2C)c2nncn12.COc1cccc(F)c1CCc1ccc(-c2cnc(C3CC3)nc2C)c2nncn12.
What is the InChIKey of 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JQZMRFMTWJQAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O.C22H18F4N4O.C22H24FN5O.2C22H21FN4O.C21H20FN5O/c1-14-19(12-25-22(27-14)15-6-7-15)17-10-8-16(29-13-26-28-23(17)29)9-11-18-20(24)4-3-5-21(18)30-2;1-13-11-27-20(22(24,25)26)10-17(13)15-8-6-14(30-12-28-29-21(15)30)7-9-16-18(23)4-3-5-19(16)31-2;1-14(2)28-12-19(15(3)26-28)17-10-8-16(27-13-24-25-22(17)27)9-11-18-20(23)6-5-7-21(18)29-4;1-14-11-20(23)16(12-21(14)28-3)6-7-17-8-9-19(22-26-25-13-27(17)22)18-5-4-10-24-15(18)2;1-3-20-16(6-5-13-24-20)17-11-9-15(27-14-25-26-22(17)27)10-12-18-19(23)7-4-8-21(18)28-2;1-3-19-17(11-23-12-24-19)15-9-7-14(27-13-25-26-21(15)27)8-10-16-18(22)5-4-6-20(16)28-2/h3-5,8,10,12-13,15H,6-7,9,11H2,1-2H3;3-6,8,10-12H,7,9H2,1-2H3;5-8,10,12-14H,9,11H2,1-4H3;4-5,8-13H,6-7H2,1-3H3;4-9,11,13-14H,3,10,12H2,1-2H3;4-7,9,11-13H,3,8,10H2,1-2H3.
What are the key properties of 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine?
8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 2357.62 g/mol, XLogP of 26.08, 34 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 158998060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).