2-[6-ethyl-8-(methoxymethyl)-1,7-naphthyridin-4-yl]-7-(imidazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one

C30H28F3N7O2 — CID 166118953

About 2-[6-ethyl-8-(methoxymethyl)-1,7-naphthyridin-4-yl]-7-(imidazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one

2-[6-ethyl-8-(methoxymethyl)-1,7-naphthyridin-4-yl]-7-(imidazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one (PubChem CID 166118953) has the molecular formula C30H28F3N7O2 and a molecular weight of 575.60 g/mol. Its IUPAC name is 2-[6-ethyl-8-(methoxymethyl)-1,7-naphthyridin-4-yl]-7-(imidazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

• Compound Name: 2-[6-ethyl-8-(methoxymethyl)-1,7-naphthyridin-4-yl]-7-(imidazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
• PubChem CID: 166118953
• Molecular Formula: C30H28F3N7O2
• Molecular Weight: 575.60 g/mol
• Exact Mass: 575.23
• IUPAC Name: 2-[6-ethyl-8-(methoxymethyl)-1,7-naphthyridin-4-yl]-7-(imidazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
• SMILES: CCc1cc2c(N3CCc4c(cc(Cn5ccnc5)cc4-c4cn(C)nc4C(F)(F)F)C3=O)ccnc2c(COC)n1
• InChI: InChI=1S/C30H28F3N7O2/c1-4-19-13-23-26(5-7-35-27(23)25(36-19)16-42-3)40-9-6-20-21(24-15-38(2)37-28(24)30(31,32)33)11-18(12-22(20)29(40)41)14-39-10-8-34-17-39/h5,7-8,10-13,15,17H,4,6,9,14,16H2,1-3H3
• InChIKey: YAZSXFQMAVKMKK-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 90.96 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.60
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[6-ethyl-8-(methoxymethyl)-1,7-naphthyridin-4-yl]-7-(imidazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one?

The IUPAC name of 2-[6-ethyl-8-(methoxymethyl)-1,7-naphthyridin-4-yl]-7-(imidazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one (CID 166118953) is 2-[6-ethyl-8-(methoxymethyl)-1,7-naphthyridin-4-yl]-7-(imidazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one.

What is the SMILES notation for 2-[6-ethyl-8-(methoxymethyl)-1,7-naphthyridin-4-yl]-7-(imidazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one?

The canonical SMILES for 2-[6-ethyl-8-(methoxymethyl)-1,7-naphthyridin-4-yl]-7-(imidazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one is CCc1cc2c(N3CCc4c(cc(Cn5ccnc5)cc4-c4cn(C)nc4C(F)(F)F)C3=O)ccnc2c(COC)n1.

What is the InChIKey of 2-[6-ethyl-8-(methoxymethyl)-1,7-naphthyridin-4-yl]-7-(imidazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one?

The InChIKey is YAZSXFQMAVKMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N7O2/c1-4-19-13-23-26(5-7-35-27(23)25(36-19)16-42-3)40-9-6-20-21(24-15-38(2)37-28(24)30(31,32)33)11-18(12-22(20)29(40)41)14-39-10-8-34-17-39/h5,7-8,10-13,15,17H,4,6,9,14,16H2,1-3H3.

What are the key properties of 2-[6-ethyl-8-(methoxymethyl)-1,7-naphthyridin-4-yl]-7-(imidazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one?

2-[6-ethyl-8-(methoxymethyl)-1,7-naphthyridin-4-yl]-7-(imidazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 575.60 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-ethyl-8-(methoxymethyl)-1,7-naphthyridin-4-yl]-7-(imidazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 166118953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).