N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-imidazol-1-yl-5-(trifluoromethyl)benzamide

C35H36F3N7O3 — CID 24953827

About N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-imidazol-1-yl-5-(trifluoromethyl)benzamide

N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-imidazol-1-yl-5-(trifluoromethyl)benzamide (PubChem CID 24953827) has the molecular formula C35H36F3N7O3 and a molecular weight of 659.71 g/mol. Its IUPAC name is N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-imidazol-1-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-imidazol-1-yl-5-(trifluoromethyl)benzamide
• PubChem CID: 24953827
• Molecular Formula: C35H36F3N7O3
• Molecular Weight: 659.71 g/mol
• Exact Mass: 659.28
• IUPAC Name: N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-imidazol-1-yl-5-(trifluoromethyl)benzamide
• SMILES: Cc1ccc(NC(=O)c2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1-c1cc2cnc(CCCN)cc2n(CCN2CCOCC2)c1=O
• InChI: InChI=1S/C35H36F3N7O3/c1-23-4-5-28(42-33(46)24-15-26(35(36,37)38)18-29(16-24)44-8-7-40-22-44)19-30(23)31-17-25-21-41-27(3-2-6-39)20-32(25)45(34(31)47)10-9-43-11-13-48-14-12-43/h4-5,7-8,15-22H,2-3,6,9-14,39H2,1H3,(H,42,46)
• InChIKey: POLNRAVSSDUGPZ-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 120.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.71
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-imidazol-1-yl-5-(trifluoromethyl)benzamide?

The IUPAC name of N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-imidazol-1-yl-5-(trifluoromethyl)benzamide (CID 24953827) is N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-imidazol-1-yl-5-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-imidazol-1-yl-5-(trifluoromethyl)benzamide?

The canonical SMILES for N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-imidazol-1-yl-5-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1-c1cc2cnc(CCCN)cc2n(CCN2CCOCC2)c1=O.

What is the InChIKey of N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-imidazol-1-yl-5-(trifluoromethyl)benzamide?

The InChIKey is POLNRAVSSDUGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36F3N7O3/c1-23-4-5-28(42-33(46)24-15-26(35(36,37)38)18-29(16-24)44-8-7-40-22-44)19-30(23)31-17-25-21-41-27(3-2-6-39)20-32(25)45(34(31)47)10-9-43-11-13-48-14-12-43/h4-5,7-8,15-22H,2-3,6,9-14,39H2,1H3,(H,42,46).

What are the key properties of N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-imidazol-1-yl-5-(trifluoromethyl)benzamide?

N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-imidazol-1-yl-5-(trifluoromethyl)benzamide has a molecular weight of 659.71 g/mol, XLogP of 5.05, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-imidazol-1-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 24953827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).