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

C35H31N9 — CID 15979150

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

9-phenyl-8-[4-[[4-(4-pyridin-2-ylimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine (PubChem CID 15979150) has the molecular formula C35H31N9 and a molecular weight of 577.70 g/mol. Its IUPAC name is 9-phenyl-8-[4-[[4-(4-pyridin-2-ylimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine.

Molecular Properties

• Compound Name: 9-phenyl-8-[4-[[4-(4-pyridin-2-ylimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine
• PubChem CID: 15979150
• Molecular Formula: C35H31N9
• Molecular Weight: 577.70 g/mol
• Exact Mass: 577.27
• IUPAC Name: 9-phenyl-8-[4-[[4-(4-pyridin-2-ylimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine
• SMILES: Nc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(n6cnc(-c7ccccn7)c6)CC5)cc4)nc3ccn12
• InChI: InChI=1S/C35H31N9/c36-35-41-40-34-29-20-28(25-6-2-1-3-7-25)33(39-30(29)15-19-44(34)35)26-11-9-24(10-12-26)21-42-17-13-27(14-18-42)43-22-32(38-23-43)31-8-4-5-16-37-31/h1-12,15-16,19-20,22-23,27H,13-14,17-18,21H2,(H2,36,41)
• InChIKey: SOQCDPYLBRSPBU-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 103.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.70
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 9-phenyl-8-[4-[[4-(4-pyridin-2-ylimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine (CID 15979150) is 9-phenyl-8-[4-[[4-(4-pyridin-2-ylimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine.

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

The canonical SMILES for 9-phenyl-8-[4-[[4-(4-pyridin-2-ylimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine is Nc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(n6cnc(-c7ccccn7)c6)CC5)cc4)nc3ccn12.

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

The InChIKey is SOQCDPYLBRSPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N9/c36-35-41-40-34-29-20-28(25-6-2-1-3-7-25)33(39-30(29)15-19-44(34)35)26-11-9-24(10-12-26)21-42-17-13-27(14-18-42)43-22-32(38-23-43)31-8-4-5-16-37-31/h1-12,15-16,19-20,22-23,27H,13-14,17-18,21H2,(H2,36,41).

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

9-phenyl-8-[4-[[4-(4-pyridin-2-ylimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine has a molecular weight of 577.70 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-8-[4-[[4-(4-pyridin-2-ylimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-amine is sourced from PubChem (CID 15979150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).