7-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane

C26H23ClN4O2 — CID 160900554

About 7-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane

7-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane (PubChem CID 160900554) has the molecular formula C26H23ClN4O2 and a molecular weight of 458.95 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane.

Molecular Properties

• Compound Name: 7-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane
• PubChem CID: 160900554
• Molecular Formula: C26H23ClN4O2
• Molecular Weight: 458.95 g/mol
• Exact Mass: 458.15
• IUPAC Name: 7-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane
• SMILES: C.COc1ccc(Cn2nc3c(-c4ccncc4)c(-c4ccc(Cl)cc4)ccn3c2=O)cc1
• InChI: InChI=1S/C25H19ClN4O2.CH4/c1-32-21-8-2-17(3-9-21)16-30-25(31)29-15-12-22(18-4-6-20(26)7-5-18)23(24(29)28-30)19-10-13-27-14-11-19;/h2-15H,16H2,1H3;1H4
• InChIKey: SPLDKRFAJVXIGA-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.95
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane?

The IUPAC name of 7-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane (CID 160900554) is 7-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane.

What is the SMILES notation for 7-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane?

The canonical SMILES for 7-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane is C.COc1ccc(Cn2nc3c(-c4ccncc4)c(-c4ccc(Cl)cc4)ccn3c2=O)cc1.

What is the InChIKey of 7-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane?

The InChIKey is SPLDKRFAJVXIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O2.CH4/c1-32-21-8-2-17(3-9-21)16-30-25(31)29-15-12-22(18-4-6-20(26)7-5-18)23(24(29)28-30)19-10-13-27-14-11-19;/h2-15H,16H2,1H3;1H4.

What are the key properties of 7-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane?

7-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane has a molecular weight of 458.95 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one;methane is sourced from PubChem (CID 160900554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).