3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C21H19Cl2N7O — CID 118110202

About 3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 118110202) has the molecular formula C21H19Cl2N7O and a molecular weight of 456.34 g/mol. Its IUPAC name is 3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
• PubChem CID: 118110202
• Molecular Formula: C21H19Cl2N7O
• Molecular Weight: 456.34 g/mol
• Exact Mass: 455.10
• IUPAC Name: 3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
• SMILES: Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1noc(-c2cc(Cl)ccc2Cl)n1
• InChI: InChI=1S/C21H19Cl2N7O/c22-14-1-2-18(23)16(8-14)21-28-20(29-31-21)17-7-12(9-26-19(17)24)13-10-27-30(11-13)15-3-5-25-6-4-15/h1-2,7-11,15,25H,3-6H2,(H2,24,26)
• InChIKey: LJZCRZBUFCSJRX-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 107.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.34
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?

The IUPAC name of 3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 118110202) is 3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

What is the SMILES notation for 3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?

The canonical SMILES for 3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1noc(-c2cc(Cl)ccc2Cl)n1.

What is the InChIKey of 3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?

The InChIKey is LJZCRZBUFCSJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N7O/c22-14-1-2-18(23)16(8-14)21-28-20(29-31-21)17-7-12(9-26-19(17)24)13-10-27-30(11-13)15-3-5-25-6-4-15/h1-2,7-11,15,25H,3-6H2,(H2,24,26).

What are the key properties of 3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?

3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 456.34 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 118110202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).