N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,5-naphthyridine-4-carboxamide

C34H32F3N5O2 — CID 137433284

About N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,5-naphthyridine-4-carboxamide

N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,5-naphthyridine-4-carboxamide (PubChem CID 137433284) has the molecular formula C34H32F3N5O2 and a molecular weight of 599.66 g/mol. Its IUPAC name is N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,5-naphthyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,5-naphthyridine-4-carboxamide
• PubChem CID: 137433284
• Molecular Formula: C34H32F3N5O2
• Molecular Weight: 599.66 g/mol
• Exact Mass: 599.25
• IUPAC Name: N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,5-naphthyridine-4-carboxamide
• SMILES: C=C(O)C(C)(C)c1cccc(-c2ccc(CN(Cc3ncc(C(F)(F)F)[nH]3)C(=O)c3c(C)c(C)nc4cccnc34)cc2)c1
• InChI: InChI=1S/C34H32F3N5O2/c1-20-21(2)40-27-10-7-15-38-31(27)30(20)32(44)42(19-29-39-17-28(41-29)34(35,36)37)18-23-11-13-24(14-12-23)25-8-6-9-26(16-25)33(4,5)22(3)43/h6-17,43H,3,18-19H2,1-2,4-5H3,(H,39,41)
• InChIKey: JYRVKZFKIYMWPA-UHFFFAOYSA-N
• XLogP: 7.85
• TPSA: 95.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.66
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,5-naphthyridine-4-carboxamide?

The IUPAC name of N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,5-naphthyridine-4-carboxamide (CID 137433284) is N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,5-naphthyridine-4-carboxamide.

What is the SMILES notation for N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,5-naphthyridine-4-carboxamide?

The canonical SMILES for N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,5-naphthyridine-4-carboxamide is C=C(O)C(C)(C)c1cccc(-c2ccc(CN(Cc3ncc(C(F)(F)F)[nH]3)C(=O)c3c(C)c(C)nc4cccnc34)cc2)c1.

What is the InChIKey of N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,5-naphthyridine-4-carboxamide?

The InChIKey is JYRVKZFKIYMWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F3N5O2/c1-20-21(2)40-27-10-7-15-38-31(27)30(20)32(44)42(19-29-39-17-28(41-29)34(35,36)37)18-23-11-13-24(14-12-23)25-8-6-9-26(16-25)33(4,5)22(3)43/h6-17,43H,3,18-19H2,1-2,4-5H3,(H,39,41).

What are the key properties of N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,5-naphthyridine-4-carboxamide?

N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,5-naphthyridine-4-carboxamide has a molecular weight of 599.66 g/mol, XLogP of 7.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[3-(3-hydroxy-2-methylbut-3-en-2-yl)phenyl]phenyl]methyl]-2,3-dimethyl-N-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 137433284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).