N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide

C35H28N8O — CID 59473022

About N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide

N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide (PubChem CID 59473022) has the molecular formula C35H28N8O and a molecular weight of 576.66 g/mol. Its IUPAC name is N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide.

Molecular Properties

• Compound Name: N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide
• PubChem CID: 59473022
• Molecular Formula: C35H28N8O
• Molecular Weight: 576.66 g/mol
• Exact Mass: 576.24
• IUPAC Name: N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide
• SMILES: Cn1cnc(-c2nnc3c4cc(-c5ccccc5)c(-c5ccc(C6(NC(=O)Cc7cccnc7)CC6)cc5)nc4ccn23)c1
• InChI: InChI=1S/C35H28N8O/c1-42-21-30(37-22-42)34-41-40-33-28-19-27(24-7-3-2-4-8-24)32(38-29(28)13-17-43(33)34)25-9-11-26(12-10-25)35(14-15-35)39-31(44)18-23-6-5-16-36-20-23/h2-13,16-17,19-22H,14-15,18H2,1H3,(H,39,44)
• InChIKey: YYWOPBUEPVPTHS-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 102.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.66
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide?

The IUPAC name of N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide (CID 59473022) is N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide.

What is the SMILES notation for N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide?

The canonical SMILES for N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide is Cn1cnc(-c2nnc3c4cc(-c5ccccc5)c(-c5ccc(C6(NC(=O)Cc7cccnc7)CC6)cc5)nc4ccn23)c1.

What is the InChIKey of N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide?

The InChIKey is YYWOPBUEPVPTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N8O/c1-42-21-30(37-22-42)34-41-40-33-28-19-27(24-7-3-2-4-8-24)32(38-29(28)13-17-43(33)34)25-9-11-26(12-10-25)35(14-15-35)39-31(44)18-23-6-5-16-36-20-23/h2-13,16-17,19-22H,14-15,18H2,1H3,(H,39,44).

What are the key properties of N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide?

N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide has a molecular weight of 576.66 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 59473022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).