6-[5-[1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide

C26H27FN6O5 — CID 89184433

About 6-[5-[1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide

6-[5-[1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 89184433) has the molecular formula C26H27FN6O5 and a molecular weight of 522.54 g/mol. Its IUPAC name is 6-[5-[1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[5-[1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
• PubChem CID: 89184433
• Molecular Formula: C26H27FN6O5
• Molecular Weight: 522.54 g/mol
• Exact Mass: 522.20
• IUPAC Name: 6-[5-[1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
• SMILES: COc1cc(CNC(=O)c2cc(C3=NOC(c4ccc(=O)n(CC(=O)N(C)C)c4)C3)nc(C)n2)ccc1F
• InChI: InChI=1S/C26H27FN6O5/c1-15-29-19(10-21(30-15)26(36)28-12-16-5-7-18(27)23(9-16)37-4)20-11-22(38-31-20)17-6-8-24(34)33(13-17)14-25(35)32(2)3/h5-10,13,22H,11-12,14H2,1-4H3,(H,28,36)
• InChIKey: RISDCVFLMILBJA-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 128.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.54
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[5-[1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?

The IUPAC name of 6-[5-[1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide (CID 89184433) is 6-[5-[1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide.

What is the SMILES notation for 6-[5-[1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?

The canonical SMILES for 6-[5-[1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide is COc1cc(CNC(=O)c2cc(C3=NOC(c4ccc(=O)n(CC(=O)N(C)C)c4)C3)nc(C)n2)ccc1F.

What is the InChIKey of 6-[5-[1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?

The InChIKey is RISDCVFLMILBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O5/c1-15-29-19(10-21(30-15)26(36)28-12-16-5-7-18(27)23(9-16)37-4)20-11-22(38-31-20)17-6-8-24(34)33(13-17)14-25(35)32(2)3/h5-10,13,22H,11-12,14H2,1-4H3,(H,28,36).

What are the key properties of 6-[5-[1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?

6-[5-[1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 522.54 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[1-[2-(dimethylamino)-2-oxoethyl]-6-oxo-3-pyridinyl]-4,5-dihydro-1,2-oxazol-3-yl]-N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 89184433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).