methane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C24H28N4O2 — CID 162226746

IUPACmethane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC.COc1ccc(-c2ccn3c(=O)n(CC(C)C)nc3c2-c2ccc(C)cc2)cn1
InChIInChI=1S/C23H24N4O2.CH4/c1-15(2)14-27-23(28)26-12-11-19(18-9-10-20(29-4)24-13-18)21(22(26)25-27)17-7-5-16(3)6-8-17;/h5-13,15H,14H2,1-4H3;1H4
InChIKeyZUWFHNRMJVWYBH-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.83
Rot. Bonds5

About methane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

methane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 162226746) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is methane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Namemethane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID162226746
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Namemethane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESC.COc1ccc(-c2ccn3c(=O)n(CC(C)C)nc3c2-c2ccc(C)cc2)cn1
InChIInChI=1S/C23H24N4O2.CH4/c1-15(2)14-27-23(28)26-12-11-19(18-9-10-20(29-4)24-13-18)21(22(26)25-27)17-7-5-16(3)6-8-17;/h5-13,15H,14H2,1-4H3;1H4
InChIKeyZUWFHNRMJVWYBH-UHFFFAOYSA-N
XLogP4.83
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

8-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane
CID 161107516
7-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane
CID 160900554
7-(4-chlorophenyl)-2-(2-hydroxyethyl)-8-(2-methoxypyrimidin-5-yl)-5-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine-3,6-dione
CID 11191593
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
7,8-bis(4-chlorophenyl)-2-(2-methylpropyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716788
3-(6-methoxy-3-pyridinyl)-5-(2-methylpropyl)-1,2-oxazole-4-carboxylic acid
CID 114938646
9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 121385049
6-(6-methoxy-3-pyridinyl)pyridin-3-ol
CID 83128352
2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258865
5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine
CID 129142491
2-methoxy-5-(2-methyl-3-pyridinyl)pyridine
CID 90167711
ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
CID 100785448

Frequently Asked Questions

What is the IUPAC name of methane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of methane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 162226746) is methane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for methane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for methane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is C.COc1ccc(-c2ccn3c(=O)n(CC(C)C)nc3c2-c2ccc(C)cc2)cn1.
What is the InChIKey of methane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ZUWFHNRMJVWYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2.CH4/c1-15(2)14-27-23(28)26-12-11-19(18-9-10-20(29-4)24-13-18)21(22(26)25-27)17-7-5-16(3)6-8-17;/h5-13,15H,14H2,1-4H3;1H4.
What are the key properties of methane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
methane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 404.51 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;7-(6-methoxy-3-pyridinyl)-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 162226746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).