N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]-6-oxopyridazin-3-yl]-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide

C24H24FN7O5 — CID 89156455

About N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]-6-oxopyridazin-3-yl]-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide

N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]-6-oxopyridazin-3-yl]-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide (PubChem CID 89156455) has the molecular formula C24H24FN7O5 and a molecular weight of 509.50 g/mol. Its IUPAC name is N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]-6-oxopyridazin-3-yl]-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]-6-oxopyridazin-3-yl]-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide
• PubChem CID: 89156455
• Molecular Formula: C24H24FN7O5
• Molecular Weight: 509.50 g/mol
• Exact Mass: 509.18
• IUPAC Name: N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]-6-oxopyridazin-3-yl]-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide
• SMILES: CNC(=O)Cn1nc(C2CC(c3cc(C(=O)NCc4ccc(F)c(OC)c4)nc(C)n3)=NO2)ccc1=O
• InChI: InChI=1S/C24H24FN7O5/c1-13-28-17(9-19(29-13)24(35)27-11-14-4-5-15(25)20(8-14)36-3)18-10-21(37-31-18)16-6-7-23(34)32(30-16)12-22(33)26-2/h4-9,21H,10-12H2,1-3H3,(H,26,33)(H,27,35)
• InChIKey: ZDJXYFXZXKJHMT-UHFFFAOYSA-N
• XLogP: 1.03
• TPSA: 149.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.50
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]-6-oxopyridazin-3-yl]-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide (CID 89156455) is N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]-6-oxopyridazin-3-yl]-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide.

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

The canonical SMILES for N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]-6-oxopyridazin-3-yl]-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide is CNC(=O)Cn1nc(C2CC(c3cc(C(=O)NCc4ccc(F)c(OC)c4)nc(C)n3)=NO2)ccc1=O.

What is the InChIKey of N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]-6-oxopyridazin-3-yl]-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide?

The InChIKey is ZDJXYFXZXKJHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O5/c1-13-28-17(9-19(29-13)24(35)27-11-14-4-5-15(25)20(8-14)36-3)18-10-21(37-31-18)16-6-7-23(34)32(30-16)12-22(33)26-2/h4-9,21H,10-12H2,1-3H3,(H,26,33)(H,27,35).

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

N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]-6-oxopyridazin-3-yl]-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide has a molecular weight of 509.50 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-6-[5-[1-[2-(methylamino)-2-oxoethyl]-6-oxopyridazin-3-yl]-4,5-dihydro-1,2-oxazol-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 89156455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).