N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide

C27H25N7O2 — CID 122313530

About N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide

N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 122313530) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
• PubChem CID: 122313530
• Molecular Formula: C27H25N7O2
• Molecular Weight: 479.54 g/mol
• Exact Mass: 479.21
• IUPAC Name: N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
• SMILES: Cc1nc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C)cc2)cc(-n2cnc(C)c2C)n1
• InChI: InChI=1S/C27H25N7O2/c1-17-18(2)33(16-28-17)25-14-26(31-20(4)30-25)36-23-12-10-21(11-13-23)32-27(35)24-15-29-34(19(24)3)22-8-6-5-7-9-22/h5-16H,1-4H3,(H,32,35)
• InChIKey: LPXFQYXZNKGAEY-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.54
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?

The IUPAC name of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 122313530) is N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide.

What is the SMILES notation for N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?

The canonical SMILES for N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1nc(Oc2ccc(NC(=O)c3cnn(-c4ccccc4)c3C)cc2)cc(-n2cnc(C)c2C)n1.

What is the InChIKey of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?

The InChIKey is LPXFQYXZNKGAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-17-18(2)33(16-28-17)25-14-26(31-20(4)30-25)36-23-12-10-21(11-13-23)32-27(35)24-15-29-34(19(24)3)22-8-6-5-7-9-22/h5-16H,1-4H3,(H,32,35).

What are the key properties of N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?

N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 122313530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).