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

C23H17F2N7 — CID 42668860

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

4-(3-fluorophenyl)-2-(4-fluorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42668860) has the molecular formula C23H17F2N7 and a molecular weight of 429.43 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-(4-fluorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

• Compound Name: 4-(3-fluorophenyl)-2-(4-fluorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
• PubChem CID: 42668860
• Molecular Formula: C23H17F2N7
• Molecular Weight: 429.43 g/mol
• Exact Mass: 429.15
• IUPAC Name: 4-(3-fluorophenyl)-2-(4-fluorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
• SMILES: Nc1c2c(-c3cccc(F)c3)nc(NCc3ccccn3)nc2nn1-c1ccc(F)cc1
• InChI: InChI=1S/C23H17F2N7/c24-15-7-9-18(10-8-15)32-21(26)19-20(14-4-3-5-16(25)12-14)29-23(30-22(19)31-32)28-13-17-6-1-2-11-27-17/h1-12H,13,26H2,(H,28,30,31)
• InChIKey: DZCYPIJVNDKQLY-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 94.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.43
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-(3-fluorophenyl)-2-(4-fluorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42668860) is 4-(3-fluorophenyl)-2-(4-fluorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

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

The canonical SMILES for 4-(3-fluorophenyl)-2-(4-fluorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is Nc1c2c(-c3cccc(F)c3)nc(NCc3ccccn3)nc2nn1-c1ccc(F)cc1.

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

The InChIKey is DZCYPIJVNDKQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N7/c24-15-7-9-18(10-8-15)32-21(26)19-20(14-4-3-5-16(25)12-14)29-23(30-22(19)31-32)28-13-17-6-1-2-11-27-17/h1-12H,13,26H2,(H,28,30,31).

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

4-(3-fluorophenyl)-2-(4-fluorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 429.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-fluorophenyl)-2-(4-fluorophenyl)-6-N-(pyridin-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42668860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).