4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

C24H25Cl2N7 — CID 42668656

About 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42668656) has the molecular formula C24H25Cl2N7 and a molecular weight of 482.42 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

• Compound Name: 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
• PubChem CID: 42668656
• Molecular Formula: C24H25Cl2N7
• Molecular Weight: 482.42 g/mol
• Exact Mass: 481.15
• IUPAC Name: 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
• SMILES: Nc1c2c(-c3cccc(Cl)c3)nc(NCCN3CCCCC3)nc2nn1-c1ccc(Cl)cc1
• InChI: InChI=1S/C24H25Cl2N7/c25-17-7-9-19(10-8-17)33-22(27)20-21(16-5-4-6-18(26)15-16)29-24(30-23(20)31-33)28-11-14-32-12-2-1-3-13-32/h4-10,15H,1-3,11-14,27H2,(H,28,30,31)
• InChIKey: BZIJDUSZWURXKN-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 84.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.42
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?

The IUPAC name of 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42668656) is 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

What is the SMILES notation for 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?

The canonical SMILES for 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is Nc1c2c(-c3cccc(Cl)c3)nc(NCCN3CCCCC3)nc2nn1-c1ccc(Cl)cc1.

What is the InChIKey of 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?

The InChIKey is BZIJDUSZWURXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N7/c25-17-7-9-19(10-8-17)33-22(27)20-21(16-5-4-6-18(26)15-16)29-24(30-23(20)31-33)28-11-14-32-12-2-1-3-13-32/h4-10,15H,1-3,11-14,27H2,(H,28,30,31).

What are the key properties of 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?

4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 482.42 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42668656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).