ethyl 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-imidazole-2-carboxylate;1-fluoro-2-(trifluoromethoxy)benzene

C22H20F4N4O5 — CID 144570078

About ethyl 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-imidazole-2-carboxylate;1-fluoro-2-(trifluoromethoxy)benzene

ethyl 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-imidazole-2-carboxylate;1-fluoro-2-(trifluoromethoxy)benzene (PubChem CID 144570078) has the molecular formula C22H20F4N4O5 and a molecular weight of 496.42 g/mol. Its IUPAC name is ethyl 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-imidazole-2-carboxylate;1-fluoro-2-(trifluoromethoxy)benzene.

Molecular Properties

• Compound Name: ethyl 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-imidazole-2-carboxylate;1-fluoro-2-(trifluoromethoxy)benzene
• PubChem CID: 144570078
• Molecular Formula: C22H20F4N4O5
• Molecular Weight: 496.42 g/mol
• Exact Mass: 496.14
• IUPAC Name: ethyl 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-imidazole-2-carboxylate;1-fluoro-2-(trifluoromethoxy)benzene
• SMILES: CCOC(=O)c1ncc(C(=O)NC2CCOc3cccnc32)[nH]1.Fc1ccccc1OC(F)(F)F
• InChI: InChI=1S/C15H16N4O4.C7H4F4O/c1-2-22-15(21)13-17-8-10(18-13)14(20)19-9-5-7-23-11-4-3-6-16-12(9)11;8-5-3-1-2-4-6(5)12-7(9,10)11/h3-4,6,8-9H,2,5,7H2,1H3,(H,17,18)(H,19,20);1-4H
• InChIKey: ZVHGYFOPZDTCRJ-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 115.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.42
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-imidazole-2-carboxylate;1-fluoro-2-(trifluoromethoxy)benzene?

The IUPAC name of ethyl 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-imidazole-2-carboxylate;1-fluoro-2-(trifluoromethoxy)benzene (CID 144570078) is ethyl 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-imidazole-2-carboxylate;1-fluoro-2-(trifluoromethoxy)benzene.

What is the SMILES notation for ethyl 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-imidazole-2-carboxylate;1-fluoro-2-(trifluoromethoxy)benzene?

The canonical SMILES for ethyl 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-imidazole-2-carboxylate;1-fluoro-2-(trifluoromethoxy)benzene is CCOC(=O)c1ncc(C(=O)NC2CCOc3cccnc32)[nH]1.Fc1ccccc1OC(F)(F)F.

What is the InChIKey of ethyl 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-imidazole-2-carboxylate;1-fluoro-2-(trifluoromethoxy)benzene?

The InChIKey is ZVHGYFOPZDTCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4.C7H4F4O/c1-2-22-15(21)13-17-8-10(18-13)14(20)19-9-5-7-23-11-4-3-6-16-12(9)11;8-5-3-1-2-4-6(5)12-7(9,10)11/h3-4,6,8-9H,2,5,7H2,1H3,(H,17,18)(H,19,20);1-4H.

What are the key properties of ethyl 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-imidazole-2-carboxylate;1-fluoro-2-(trifluoromethoxy)benzene?

ethyl 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-imidazole-2-carboxylate;1-fluoro-2-(trifluoromethoxy)benzene has a molecular weight of 496.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-imidazole-2-carboxylate;1-fluoro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 144570078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).