[2-ethoxy-6-(3-methylbenzimidazol-5-yl)-8-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-1,6-naphthyridin-7-ylidene]methanone

C25H20F3N5O2 — CID 176546188

About [2-ethoxy-6-(3-methylbenzimidazol-5-yl)-8-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-1,6-naphthyridin-7-ylidene]methanone

[2-ethoxy-6-(3-methylbenzimidazol-5-yl)-8-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-1,6-naphthyridin-7-ylidene]methanone (PubChem CID 176546188) has the molecular formula C25H20F3N5O2 and a molecular weight of 479.46 g/mol. Its IUPAC name is [2-ethoxy-6-(3-methylbenzimidazol-5-yl)-8-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-1,6-naphthyridin-7-ylidene]methanone.

Molecular Properties

• Compound Name: [2-ethoxy-6-(3-methylbenzimidazol-5-yl)-8-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-1,6-naphthyridin-7-ylidene]methanone
• PubChem CID: 176546188
• Molecular Formula: C25H20F3N5O2
• Molecular Weight: 479.46 g/mol
• Exact Mass: 479.16
• IUPAC Name: [2-ethoxy-6-(3-methylbenzimidazol-5-yl)-8-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-1,6-naphthyridin-7-ylidene]methanone
• SMILES: CCOc1ccc2c(n1)=C(C1=CC=C(C(F)(F)F)NC1)C(=C=O)N(c1ccc3ncn(C)c3c1)C=2
• InChI: InChI=1S/C25H20F3N5O2/c1-3-35-22-9-5-16-12-33(17-6-7-18-19(10-17)32(2)14-30-18)20(13-34)23(24(16)31-22)15-4-8-21(29-11-15)25(26,27)28/h4-10,12,14,29H,3,11H2,1-2H3
• InChIKey: KVOLKRSIDMCIKQ-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.46
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ketene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-6-(3-methylbenzimidazol-5-yl)-8-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-1,6-naphthyridin-7-ylidene]methanone?

The IUPAC name of [2-ethoxy-6-(3-methylbenzimidazol-5-yl)-8-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-1,6-naphthyridin-7-ylidene]methanone (CID 176546188) is [2-ethoxy-6-(3-methylbenzimidazol-5-yl)-8-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-1,6-naphthyridin-7-ylidene]methanone.

What is the SMILES notation for [2-ethoxy-6-(3-methylbenzimidazol-5-yl)-8-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-1,6-naphthyridin-7-ylidene]methanone?

The canonical SMILES for [2-ethoxy-6-(3-methylbenzimidazol-5-yl)-8-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-1,6-naphthyridin-7-ylidene]methanone is CCOc1ccc2c(n1)=C(C1=CC=C(C(F)(F)F)NC1)C(=C=O)N(c1ccc3ncn(C)c3c1)C=2.

What is the InChIKey of [2-ethoxy-6-(3-methylbenzimidazol-5-yl)-8-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-1,6-naphthyridin-7-ylidene]methanone?

The InChIKey is KVOLKRSIDMCIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O2/c1-3-35-22-9-5-16-12-33(17-6-7-18-19(10-17)32(2)14-30-18)20(13-34)23(24(16)31-22)15-4-8-21(29-11-15)25(26,27)28/h4-10,12,14,29H,3,11H2,1-2H3.

What are the key properties of [2-ethoxy-6-(3-methylbenzimidazol-5-yl)-8-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-1,6-naphthyridin-7-ylidene]methanone?

[2-ethoxy-6-(3-methylbenzimidazol-5-yl)-8-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-1,6-naphthyridin-7-ylidene]methanone has a molecular weight of 479.46 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-ethoxy-6-(3-methylbenzimidazol-5-yl)-8-[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]-1,6-naphthyridin-7-ylidene]methanone is sourced from PubChem (CID 176546188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).