5-(4-fluorophenyl)-N-(3-fluoro-4-spiro[3,4-dihydropyrido[3,2-b][1,4]oxazine-2,1'-cyclopropane]-8-yloxyphenyl)-4-oxo-1H-pyridine-3-carboxamide

C27H20F2N4O4 — CID 72949061

About 5-(4-fluorophenyl)-N-(3-fluoro-4-spiro[3,4-dihydropyrido[3,2-b][1,4]oxazine-2,1'-cyclopropane]-8-yloxyphenyl)-4-oxo-1H-pyridine-3-carboxamide

5-(4-fluorophenyl)-N-(3-fluoro-4-spiro[3,4-dihydropyrido[3,2-b][1,4]oxazine-2,1'-cyclopropane]-8-yloxyphenyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 72949061) has the molecular formula C27H20F2N4O4 and a molecular weight of 502.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-fluoro-4-spiro[3,4-dihydropyrido[3,2-b][1,4]oxazine-2,1'-cyclopropane]-8-yloxyphenyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-fluorophenyl)-N-(3-fluoro-4-spiro[3,4-dihydropyrido[3,2-b][1,4]oxazine-2,1'-cyclopropane]-8-yloxyphenyl)-4-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 72949061
• Molecular Formula: C27H20F2N4O4
• Molecular Weight: 502.48 g/mol
• Exact Mass: 502.15
• IUPAC Name: 5-(4-fluorophenyl)-N-(3-fluoro-4-spiro[3,4-dihydropyrido[3,2-b][1,4]oxazine-2,1'-cyclopropane]-8-yloxyphenyl)-4-oxo-1H-pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(Oc2ccnc3c2OC2(CC2)CN3)c(F)c1)c1c[nH]cc(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C27H20F2N4O4/c28-16-3-1-15(2-4-16)18-12-30-13-19(23(18)34)26(35)33-17-5-6-21(20(29)11-17)36-22-7-10-31-25-24(22)37-27(8-9-27)14-32-25/h1-7,10-13H,8-9,14H2,(H,30,34)(H,31,32)(H,33,35)
• InChIKey: IXHHCSPUESIWRD-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 105.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.48
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(3-fluoro-4-spiro[3,4-dihydropyrido[3,2-b][1,4]oxazine-2,1'-cyclopropane]-8-yloxyphenyl)-4-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of 5-(4-fluorophenyl)-N-(3-fluoro-4-spiro[3,4-dihydropyrido[3,2-b][1,4]oxazine-2,1'-cyclopropane]-8-yloxyphenyl)-4-oxo-1H-pyridine-3-carboxamide (CID 72949061) is 5-(4-fluorophenyl)-N-(3-fluoro-4-spiro[3,4-dihydropyrido[3,2-b][1,4]oxazine-2,1'-cyclopropane]-8-yloxyphenyl)-4-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-fluoro-4-spiro[3,4-dihydropyrido[3,2-b][1,4]oxazine-2,1'-cyclopropane]-8-yloxyphenyl)-4-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for 5-(4-fluorophenyl)-N-(3-fluoro-4-spiro[3,4-dihydropyrido[3,2-b][1,4]oxazine-2,1'-cyclopropane]-8-yloxyphenyl)-4-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccnc3c2OC2(CC2)CN3)c(F)c1)c1c[nH]cc(-c2ccc(F)cc2)c1=O.

What is the InChIKey of 5-(4-fluorophenyl)-N-(3-fluoro-4-spiro[3,4-dihydropyrido[3,2-b][1,4]oxazine-2,1'-cyclopropane]-8-yloxyphenyl)-4-oxo-1H-pyridine-3-carboxamide?

The InChIKey is IXHHCSPUESIWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N4O4/c28-16-3-1-15(2-4-16)18-12-30-13-19(23(18)34)26(35)33-17-5-6-21(20(29)11-17)36-22-7-10-31-25-24(22)37-27(8-9-27)14-32-25/h1-7,10-13H,8-9,14H2,(H,30,34)(H,31,32)(H,33,35).

What are the key properties of 5-(4-fluorophenyl)-N-(3-fluoro-4-spiro[3,4-dihydropyrido[3,2-b][1,4]oxazine-2,1'-cyclopropane]-8-yloxyphenyl)-4-oxo-1H-pyridine-3-carboxamide?

5-(4-fluorophenyl)-N-(3-fluoro-4-spiro[3,4-dihydropyrido[3,2-b][1,4]oxazine-2,1'-cyclopropane]-8-yloxyphenyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 502.48 g/mol, XLogP of 5.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluorophenyl)-N-(3-fluoro-4-spiro[3,4-dihydropyrido[3,2-b][1,4]oxazine-2,1'-cyclopropane]-8-yloxyphenyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 72949061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).