4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

C26H25N7 — CID 42667746

About 4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42667746) has the molecular formula C26H25N7 and a molecular weight of 435.54 g/mol. Its IUPAC name is 4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

• Compound Name: 4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
• PubChem CID: 42667746
• Molecular Formula: C26H25N7
• Molecular Weight: 435.54 g/mol
• Exact Mass: 435.22
• IUPAC Name: 4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
• SMILES: CC(C)c1ccc(-n2nc3nc(NCc4ccccn4)nc(-c4ccccc4)c3c2N)cc1
• InChI: InChI=1S/C26H25N7/c1-17(2)18-11-13-21(14-12-18)33-24(27)22-23(19-8-4-3-5-9-19)30-26(31-25(22)32-33)29-16-20-10-6-7-15-28-20/h3-15,17H,16,27H2,1-2H3,(H,29,31,32)
• InChIKey: FKHVRCBYVRQJDB-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 94.54 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	435.54
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?

The IUPAC name of 4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42667746) is 4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

What is the SMILES notation for 4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?

The canonical SMILES for 4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is CC(C)c1ccc(-n2nc3nc(NCc4ccccn4)nc(-c4ccccc4)c3c2N)cc1.

What is the InChIKey of 4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?

The InChIKey is FKHVRCBYVRQJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7/c1-17(2)18-11-13-21(14-12-18)33-24(27)22-23(19-8-4-3-5-9-19)30-26(31-25(22)32-33)29-16-20-10-6-7-15-28-20/h3-15,17H,16,27H2,1-2H3,(H,29,31,32).

What are the key properties of 4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?

4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 435.54 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-phenyl-2-(4-propan-2-ylphenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42667746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).