5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone

C111H109N19O10S — CID 159755205

IUPAC5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone
SMILESCOc1cc(-c2ccc(CCc3ccccc3OC)n3cnnc23)ccn1.COc1ccccc1CCc1ccc(-c2c(C)noc2C)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(C(C)=O)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(CN3CCCC3)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2)c2nncn12
InChIInChI=1S/C26H28N4O.C23H21N3O2.C21H20N4O3S.C21H20N4O2.C20H20N4O2/c1-31-25-7-3-2-6-22(25)12-13-23-14-15-24(26-28-27-19-30(23)26)21-10-8-20(9-11-21)18-29-16-4-5-17-29;1-16(27)17-7-9-18(10-8-17)21-14-13-20(26-15-24-25-23(21)26)12-11-19-5-3-4-6-22(19)28-2;1-28-19-6-4-3-5-15(19)7-9-17-10-11-18(21-24-23-14-25(17)21)16-8-12-20(22-13-16)29(2,26)27;1-26-19-6-4-3-5-15(19)7-8-17-9-10-18(21-24-23-14-25(17)21)16-11-12-22-20(13-16)27-2;1-13-19(14(2)26-23-13)17-11-10-16(24-12-21-22-20(17)24)9-8-15-6-4-5-7-18(15)25-3/h2-3,6-11,14-15,19H,4-5,12-13,16-18H2,1H3;3-10,13-15H,11-12H2,1-2H3;3-6,8,10-14H,7,9H2,1-2H3;3-6,9-14H,7-8H2,1-2H3;4-7,10-12H,8-9H2,1-3H3
InChIKeyNEEBDBJUISGWST-UHFFFAOYSA-N
MW1901.28 g/mol
LogP19.56
Rot. Bonds30

About 5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone

5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone (PubChem CID 159755205) has the molecular formula C111H109N19O10S and a molecular weight of 1901.28 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone
PubChem CID159755205
Molecular FormulaC111H109N19O10S
Molecular Weight1901.28 g/mol
Exact Mass1899.83
IUPAC Name5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone
SMILESCOc1cc(-c2ccc(CCc3ccccc3OC)n3cnnc23)ccn1.COc1ccccc1CCc1ccc(-c2c(C)noc2C)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(C(C)=O)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(CN3CCCC3)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2)c2nncn12
InChIInChI=1S/C26H28N4O.C23H21N3O2.C21H20N4O3S.C21H20N4O2.C20H20N4O2/c1-31-25-7-3-2-6-22(25)12-13-23-14-15-24(26-28-27-19-30(23)26)21-10-8-20(9-11-21)18-29-16-4-5-17-29;1-16(27)17-7-9-18(10-8-17)21-14-13-20(26-15-24-25-23(21)26)12-11-19-5-3-4-6-22(19)28-2;1-28-19-6-4-3-5-15(19)7-9-17-10-11-18(21-24-23-14-25(17)21)16-8-12-20(22-13-16)29(2,26)27;1-26-19-6-4-3-5-15(19)7-8-17-9-10-18(21-24-23-14-25(17)21)16-11-12-22-20(13-16)27-2;1-13-19(14(2)26-23-13)17-11-10-16(24-12-21-22-20(17)24)9-8-15-6-4-5-7-18(15)25-3/h2-3,6-11,14-15,19H,4-5,12-13,16-18H2,1H3;3-10,13-15H,11-12H2,1-2H3;3-6,8,10-14H,7,9H2,1-2H3;3-6,9-14H,7-8H2,1-2H3;4-7,10-12H,8-9H2,1-3H3
InChIKeyNEEBDBJUISGWST-UHFFFAOYSA-N
XLogP19.56
TPSA312.59 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds30
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001901.28
LogP ≤ 519.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone?
The IUPAC name of 5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone (CID 159755205) is 5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone?
The canonical SMILES for 5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone is COc1cc(-c2ccc(CCc3ccccc3OC)n3cnnc23)ccn1.COc1ccccc1CCc1ccc(-c2c(C)noc2C)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(C(C)=O)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(CN3CCCC3)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2)c2nncn12.
What is the InChIKey of 5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone?
The InChIKey is NEEBDBJUISGWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O.C23H21N3O2.C21H20N4O3S.C21H20N4O2.C20H20N4O2/c1-31-25-7-3-2-6-22(25)12-13-23-14-15-24(26-28-27-19-30(23)26)21-10-8-20(9-11-21)18-29-16-4-5-17-29;1-16(27)17-7-9-18(10-8-17)21-14-13-20(26-15-24-25-23(21)26)12-11-19-5-3-4-6-22(19)28-2;1-28-19-6-4-3-5-15(19)7-9-17-10-11-18(21-24-23-14-25(17)21)16-8-12-20(22-13-16)29(2,26)27;1-26-19-6-4-3-5-15(19)7-8-17-9-10-18(21-24-23-14-25(17)21)16-11-12-22-20(13-16)27-2;1-13-19(14(2)26-23-13)17-11-10-16(24-12-21-22-20(17)24)9-8-15-6-4-5-7-18(15)25-3/h2-3,6-11,14-15,19H,4-5,12-13,16-18H2,1H3;3-10,13-15H,11-12H2,1-2H3;3-6,8,10-14H,7,9H2,1-2H3;3-6,9-14H,7-8H2,1-2H3;4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone?
5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone has a molecular weight of 1901.28 g/mol, XLogP of 19.56, 30 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)ethyl]-8-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethyl-1,2-oxazole;1-[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]ethanone is sourced from PubChem (CID 159755205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).