2-ethyl-7-fluoro-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-6,7-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-7-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide

C108H101F10N9O9 — CID 158531561

About 2-ethyl-7-fluoro-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-6,7-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-7-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide

2-ethyl-7-fluoro-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-6,7-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-7-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide (PubChem CID 158531561) has the molecular formula C108H101F10N9O9 and a molecular weight of 1859.03 g/mol. Its IUPAC name is 2-ethyl-7-fluoro-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-6,7-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-7-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-7-fluoro-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-6,7-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-7-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide
• PubChem CID: 158531561
• Molecular Formula: C108H101F10N9O9
• Molecular Weight: 1859.03 g/mol
• Exact Mass: 1857.76
• IUPAC Name: 2-ethyl-7-fluoro-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-6,7-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-7-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide
• SMILES: C=C(O)C(C)(C)c1cccc(-c2ccc(CN(Cc3ccc(C(F)(F)F)o3)C(=O)c3cc(CC)nc4cc(C)c(C)nc34)cc2)c1.C=C(O)C(C)(C)c1cccc(-c2ccc(CN(Cc3ccc(C(F)(F)F)o3)C(=O)c3cc(CC)nc4cc(C)cnc34)cc2)c1.C=C(O)C(C)(C)c1cccc(-c2ccc(CN(Cc3ccc(C(F)(F)F)o3)C(=O)c3cc(CC)nc4cc(F)cnc34)cc2)c1
• InChI: InChI=1S/C37H36F3N3O3.C36H34F3N3O3.C35H31F4N3O3/c1-7-29-19-31(34-32(42-29)17-22(2)23(3)41-34)35(45)43(21-30-15-16-33(46-30)37(38,39)40)20-25-11-13-26(14-12-25)27-9-8-10-28(18-27)36(5,6)24(4)44;1-6-28-18-30(33-31(41-28)16-22(2)19-40-33)34(44)42(21-29-14-15-32(45-29)36(37,38)39)20-24-10-12-25(13-11-24)26-8-7-9-27(17-26)35(4,5)23(3)43;1-5-27-17-29(32-30(41-27)16-26(36)18-40-32)33(44)42(20-28-13-14-31(45-28)35(37,38)39)19-22-9-11-23(12-10-22)24-7-6-8-25(15-24)34(3,4)21(2)43/h8-19,44H,4,7,20-21H2,1-3,5-6H3;7-19,43H,3,6,20-21H2,1-2,4-5H3;6-18,43H,2,5,19-20H2,1,3-4H3
• InChIKey: HNKZIBBJKWYNHW-UHFFFAOYSA-N
• XLogP: 27.05
• TPSA: 238.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 27
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1859.03
LogP ≤ 5	27.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoro-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-6,7-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-7-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide?

The IUPAC name of 2-ethyl-7-fluoro-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-6,7-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-7-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide (CID 158531561) is 2-ethyl-7-fluoro-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-6,7-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-7-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide.

What is the SMILES notation for 2-ethyl-7-fluoro-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-6,7-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-7-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide?

The canonical SMILES for 2-ethyl-7-fluoro-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-6,7-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-7-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide is C=C(O)C(C)(C)c1cccc(-c2ccc(CN(Cc3ccc(C(F)(F)F)o3)C(=O)c3cc(CC)nc4cc(C)c(C)nc34)cc2)c1.C=C(O)C(C)(C)c1cccc(-c2ccc(CN(Cc3ccc(C(F)(F)F)o3)C(=O)c3cc(CC)nc4cc(C)cnc34)cc2)c1.C=C(O)C(C)(C)c1cccc(-c2ccc(CN(Cc3ccc(C(F)(F)F)o3)C(=O)c3cc(CC)nc4cc(F)cnc34)cc2)c1.

What is the InChIKey of 2-ethyl-7-fluoro-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-6,7-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-7-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide?

The InChIKey is HNKZIBBJKWYNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36F3N3O3.C36H34F3N3O3.C35H31F4N3O3/c1-7-29-19-31(34-32(42-29)17-22(2)23(3)41-34)35(45)43(21-30-15-16-33(46-30)37(38,39)40)20-25-11-13-26(14-12-25)27-9-8-10-28(18-27)36(5,6)24(4)44;1-6-28-18-30(33-31(41-28)16-22(2)19-40-33)34(44)42(21-29-14-15-32(45-29)36(37,38)39)20-24-10-12-25(13-11-24)26-8-7-9-27(17-26)35(4,5)23(3)43;1-5-27-17-29(32-30(41-27)16-26(36)18-40-32)33(44)42(20-28-13-14-31(45-28)35(37,38)39)19-22-9-11-23(12-10-22)24-7-6-8-25(15-24)34(3,4)21(2)43/h8-19,44H,4,7,20-21H2,1-3,5-6H3;7-19,43H,3,6,20-21H2,1-2,4-5H3;6-18,43H,2,5,19-20H2,1,3-4H3.

What are the key properties of 2-ethyl-7-fluoro-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-6,7-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-7-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide?

2-ethyl-7-fluoro-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-6,7-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-7-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide has a molecular weight of 1859.03 g/mol, XLogP of 27.05, 27 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-7-fluoro-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-6,7-dimethyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide;2-ethyl-N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-7-methyl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 158531561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).