5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide

C25H23FN6O2 — CID 159386015

About 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide

5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide (PubChem CID 159386015) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

• Compound Name: 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
• PubChem CID: 159386015
• Molecular Formula: C25H23FN6O2
• Molecular Weight: 458.50 g/mol
• Exact Mass: 458.19
• IUPAC Name: 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
• SMILES: Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3CCOC4)n2)cc1-n1cnc(C2CC2)c1
• InChI: InChI=1S/C25H23FN6O2/c1-15-9-19(26)18(10-22(15)31-12-21(28-14-31)16-5-6-16)25(33)30-23-4-2-3-20(29-23)24-27-11-17-13-34-8-7-32(17)24/h2-4,9-12,14,16H,5-8,13H2,1H3,(H,29,30,33)
• InChIKey: ATDXXQFUFOCBNL-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.50
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide?

The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide (CID 159386015) is 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide.

What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide?

The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3CCOC4)n2)cc1-n1cnc(C2CC2)c1.

What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide?

The InChIKey is ATDXXQFUFOCBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-15-9-19(26)18(10-22(15)31-12-21(28-14-31)16-5-6-16)25(33)30-23-4-2-3-20(29-23)24-27-11-17-13-34-8-7-32(17)24/h2-4,9-12,14,16H,5-8,13H2,1H3,(H,29,30,33).

What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide?

5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide has a molecular weight of 458.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazin-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 159386015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).