4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane

C25H22Cl2N6O2 — CID 145130695

About 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane

4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane (PubChem CID 145130695) has the molecular formula C25H22Cl2N6O2 and a molecular weight of 509.40 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane.

Molecular Properties

• Compound Name: 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane
• PubChem CID: 145130695
• Molecular Formula: C25H22Cl2N6O2
• Molecular Weight: 509.40 g/mol
• Exact Mass: 508.12
• IUPAC Name: 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane
• SMILES: C.Cc1ccc(-c2noc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(Cl)cc5)cnc43)n2)cc1
• InChI: InChI=1S/C24H18Cl2N6O2.CH4/c1-13-3-5-15(6-4-13)22-29-19(34-31-22)12-32-23-20(14(2)30-32)21(26)18(11-27-23)24(33)28-17-9-7-16(25)8-10-17;/h3-11H,12H2,1-2H3,(H,28,33);1H4
• InChIKey: XHYDLEQIJULZFR-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.40
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane?

The IUPAC name of 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane (CID 145130695) is 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane.

What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane?

The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane is C.Cc1ccc(-c2noc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(Cl)cc5)cnc43)n2)cc1.

What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane?

The InChIKey is XHYDLEQIJULZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N6O2.CH4/c1-13-3-5-15(6-4-13)22-29-19(34-31-22)12-32-23-20(14(2)30-32)21(26)18(11-27-23)24(33)28-17-9-7-16(25)8-10-17;/h3-11H,12H2,1-2H3,(H,28,33);1H4.

What are the key properties of 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane?

4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane has a molecular weight of 509.40 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane is sourced from PubChem (CID 145130695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).