[1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol

C32H34N6O — CID 24968539

About [1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol

[1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol (PubChem CID 24968539) has the molecular formula C32H34N6O and a molecular weight of 518.67 g/mol. Its IUPAC name is [1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

• Compound Name: [1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol
• PubChem CID: 24968539
• Molecular Formula: C32H34N6O
• Molecular Weight: 518.67 g/mol
• Exact Mass: 518.28
• IUPAC Name: [1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol
• SMILES: NC1(c2ccc(-c3nc4ccn5c(CN6CCCC(CO)C6)nnc5c4cc3-c3ccccc3)cc2)CCC1
• InChI: InChI=1S/C32H34N6O/c33-32(14-5-15-32)25-11-9-24(10-12-25)30-26(23-7-2-1-3-8-23)18-27-28(34-30)13-17-38-29(35-36-31(27)38)20-37-16-4-6-22(19-37)21-39/h1-3,7-13,17-18,22,39H,4-6,14-16,19-21,33H2
• InChIKey: WAYXFHATIWIMPU-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 92.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.67
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol?

The IUPAC name of [1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol (CID 24968539) is [1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol.

What is the SMILES notation for [1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol?

The canonical SMILES for [1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol is NC1(c2ccc(-c3nc4ccn5c(CN6CCCC(CO)C6)nnc5c4cc3-c3ccccc3)cc2)CCC1.

What is the InChIKey of [1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol?

The InChIKey is WAYXFHATIWIMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O/c33-32(14-5-15-32)25-11-9-24(10-12-25)30-26(23-7-2-1-3-8-23)18-27-28(34-30)13-17-38-29(35-36-31(27)38)20-37-16-4-6-22(19-37)21-39/h1-3,7-13,17-18,22,39H,4-6,14-16,19-21,33H2.

What are the key properties of [1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol?

[1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 518.67 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 24968539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).