1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide

C26H23ClN6O3 — CID 122311667

About 1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 122311667) has the molecular formula C26H23ClN6O3 and a molecular weight of 502.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 122311667
• Molecular Formula: C26H23ClN6O3
• Molecular Weight: 502.96 g/mol
• Exact Mass: 502.15
• IUPAC Name: 1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1cc(C)n(-c2cc(Oc3ccc(NC(=O)C4CC(=O)N(c5ccc(Cl)cc5)C4)cc3)ncn2)n1
• InChI: InChI=1S/C26H23ClN6O3/c1-16-11-17(2)33(31-16)23-13-24(29-15-28-23)36-22-9-5-20(6-10-22)30-26(35)18-12-25(34)32(14-18)21-7-3-19(27)4-8-21/h3-11,13,15,18H,12,14H2,1-2H3,(H,30,35)
• InChIKey: PDNHCHNYXNFRDO-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.96
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide (CID 122311667) is 1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)n(-c2cc(Oc3ccc(NC(=O)C4CC(=O)N(c5ccc(Cl)cc5)C4)cc3)ncn2)n1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is PDNHCHNYXNFRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O3/c1-16-11-17(2)33(31-16)23-13-24(29-15-28-23)36-22-9-5-20(6-10-22)30-26(35)18-12-25(34)32(14-18)21-7-3-19(27)4-8-21/h3-11,13,15,18H,12,14H2,1-2H3,(H,30,35).

What are the key properties of 1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide?

1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 502.96 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122311667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).