1-[1-[[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C32H30N8O — CID 59846151

About 1-[1-[[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-[1-[[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 59846151) has the molecular formula C32H30N8O and a molecular weight of 542.65 g/mol. Its IUPAC name is 1-[1-[[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 1-[1-[[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 59846151
• Molecular Formula: C32H30N8O
• Molecular Weight: 542.65 g/mol
• Exact Mass: 542.25
• IUPAC Name: 1-[1-[[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: COc1nccc2nc(-c3ccc(CN4CCC(n5ncc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12
• InChI: InChI=1S/C32H30N8O/c1-41-32-26-17-25(22-5-3-2-4-6-22)29(38-28(26)11-14-34-32)23-9-7-21(8-10-23)19-39-15-12-24(13-16-39)40-31-27(18-37-40)30(33)35-20-36-31/h2-11,14,17-18,20,24H,12-13,15-16,19H2,1H3,(H2,33,35,36)
• InChIKey: PASZXIBACDWQPJ-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 107.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.65
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 1-[1-[[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 59846151) is 1-[1-[[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 1-[1-[[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 1-[1-[[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is COc1nccc2nc(-c3ccc(CN4CCC(n5ncc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12.

What is the InChIKey of 1-[1-[[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is PASZXIBACDWQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N8O/c1-41-32-26-17-25(22-5-3-2-4-6-22)29(38-28(26)11-14-34-32)23-9-7-21(8-10-23)19-39-15-12-24(13-16-39)40-31-27(18-37-40)30(33)35-20-36-31/h2-11,14,17-18,20,24H,12-13,15-16,19H2,1H3,(H2,33,35,36).

What are the key properties of 1-[1-[[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

1-[1-[[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 542.65 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59846151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).